713496-46-9
3-METHYL-1-PHENYL-5-(PYRROLIDIN-1-YL)-1H-PYRAZOLE-4-CARBALDEHYDE
Name3-METHYL-1-PHENYL-5-(PYRROLIDIN-1-YL)-1H-PYRAZOLE-4-CARBALDEHYDE
1Identification
【Name】
3-METHYL-1-PHENYL-5-(PYRROLIDIN-1-YL)-1H-PYRAZOLE-4-CARBALDEHYDE
【CAS】
【MDL】
MFCD03948118
【English Synonyms】
【Formula】
C15 H17 N3 O
【MolWeight】
255.319
【Inchi】
InChI=1S/C15H17N3O/c1-12-14(11-19)15(17-9-5-6-10-17)18(16-12)13-7-3-2-4-8-13/h2-4,7-8,11H,5-6,9-10H2,1H3
【InChIKey】
InChIKey=MXZAONCKLBCRQJ-UHFFFAOYSA-N
【SMILES】
Cc1c(c(n(n1)c2ccccc2)N3CCCC3)C=O
【MOL File】
3-METHYL-1-PHENYL-5-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-METHYL-1-PHENYL-5-(PYRROLIDIN-1-YL)-1H-PYRAZOLE-4-CARBALDEHYDE.cml