5-cyclopropyl-N-(piperidin-3-ylmethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide;hydrochloride

C20H24ClF3N4O — CID 119460053

IUPAC5-cyclopropyl-N-(piperidin-3-ylmethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide;hydrochloride
SMILESCl.O=C(NCC1CCCNC1)c1cnn(-c2cccc(C(F)(F)F)c2)c1C1CC1
InChIInChI=1S/C20H23F3N4O.ClH/c21-20(22,23)15-4-1-5-16(9-15)27-18(14-6-7-14)17(12-26-27)19(28)25-11-13-3-2-8-24-10-13;/h1,4-5,9,12-14,24H,2-3,6-8,10-11H2,(H,25,28);1H
InChIKeyGVSQQFQUHMJYRJ-UHFFFAOYSA-N
MW428.89 g/mol
LogP3.92
Rot. Bonds5

About 5-cyclopropyl-N-(piperidin-3-ylmethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide;hydrochloride

5-cyclopropyl-N-(piperidin-3-ylmethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide;hydrochloride (PubChem CID 119460053) has the molecular formula C20H24ClF3N4O and a molecular weight of 428.89 g/mol. Its IUPAC name is 5-cyclopropyl-N-(piperidin-3-ylmethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-cyclopropyl-N-(piperidin-3-ylmethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide;hydrochloride
PubChem CID119460053
Molecular FormulaC20H24ClF3N4O
Molecular Weight428.89 g/mol
Exact Mass428.16
IUPAC Name5-cyclopropyl-N-(piperidin-3-ylmethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide;hydrochloride
SMILESCl.O=C(NCC1CCCNC1)c1cnn(-c2cccc(C(F)(F)F)c2)c1C1CC1
InChIInChI=1S/C20H23F3N4O.ClH/c21-20(22,23)15-4-1-5-16(9-15)27-18(14-6-7-14)17(12-26-27)19(28)25-11-13-3-2-8-24-10-13;/h1,4-5,9,12-14,24H,2-3,6-8,10-11H2,(H,25,28);1H
InChIKeyGVSQQFQUHMJYRJ-UHFFFAOYSA-N
XLogP3.92
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.89
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-cyclopropyl-1-phenyl-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide;hydrochloride
CID 119463223
5-cyclopropyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 120944942
5-cyclopropyl-N-piperidin-4-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide;hydrochloride
CID 119385987
5-cyclopropyl-N-methyl-N-pyrrolidin-3-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide;hydrochloride
CID 119550146
[5-cyclopropyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-(1,4-diazepan-1-yl)methanone
CID 119414315
N,5-dicyclopropyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 51077946
5-cyclopropyl-N-[(3,5-difluorophenyl)methyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 55609641
N-(cyclopropylmethyl)-5-pyrrol-1-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 37036339
3-[[5-cyclopropyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbonyl]amino]butanoic acid
CID 119220762
5-ethyl-1-(4-fluorophenyl)-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide;hydrochloride
CID 119461346
1-(4-fluorophenyl)-5-methyl-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide;hydrochloride
CID 119461195
1-[[5-cyclopropyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbonyl]amino]-3-methylurea
CID 86835873

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-(piperidin-3-ylmethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide;hydrochloride?
The IUPAC name of 5-cyclopropyl-N-(piperidin-3-ylmethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide;hydrochloride (CID 119460053) is 5-cyclopropyl-N-(piperidin-3-ylmethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 5-cyclopropyl-N-(piperidin-3-ylmethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide;hydrochloride?
The canonical SMILES for 5-cyclopropyl-N-(piperidin-3-ylmethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide;hydrochloride is Cl.O=C(NCC1CCCNC1)c1cnn(-c2cccc(C(F)(F)F)c2)c1C1CC1.
What is the InChIKey of 5-cyclopropyl-N-(piperidin-3-ylmethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide;hydrochloride?
The InChIKey is GVSQQFQUHMJYRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N4O.ClH/c21-20(22,23)15-4-1-5-16(9-15)27-18(14-6-7-14)17(12-26-27)19(28)25-11-13-3-2-8-24-10-13;/h1,4-5,9,12-14,24H,2-3,6-8,10-11H2,(H,25,28);1H.
What are the key properties of 5-cyclopropyl-N-(piperidin-3-ylmethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide;hydrochloride?
5-cyclopropyl-N-(piperidin-3-ylmethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide;hydrochloride has a molecular weight of 428.89 g/mol, XLogP of 3.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-(piperidin-3-ylmethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119460053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).