956386-28-0
1-(1-ISOPROPYL-1H-PYRAZOL-5-YL)-2,5-DIMETHYL-1H-PYRROLE-3-CARBALDEHYDE
Name1-(1-ISOPROPYL-1H-PYRAZOL-5-YL)-2,5-DIMETHYL-1H-PYRROLE-3-CARBALDEHYDE
1Identification
【Name】
1-(1-ISOPROPYL-1H-PYRAZOL-5-YL)-2,5-DIMETHYL-1H-PYRROLE-3-CARBALDEHYDE
【CAS】
【MDL】
MFCD06382016
【English Synonyms】
【Formula】
C13 H17 N3 O
【MolWeight】
231.297
【Inchi】
InChI=1S/C13H17N3O/c1-9(2)16-13(5-6-14-16)15-10(3)7-12(8-17)11(15)4/h5-9H,1-4H3
【InChIKey】
InChIKey=UJAMKJGMBBLMMJ-UHFFFAOYSA-N
【SMILES】
Cc1cc(c(n1c2ccnn2C(C)C)C)C=O
【MOL File】
1-(1-ISOPROPYL-1H-PY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-(1-ISOPROPYL-1H-PYRAZOL-5-YL)-2,5-DIMETHYL-1H-PYRROLE-3-CARBALDEHYDE.cml