2-(3,4-difluorophenyl)-N-[5-[1-[1-methyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperidin-2-yl]-1H-pyrazol-3-yl]cyclopropane-1-carboxamide

C27H32F2N6O2 — CID 171683354

IUPAC2-(3,4-difluorophenyl)-N-[5-[1-[1-methyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperidin-2-yl]-1H-pyrazol-3-yl]cyclopropane-1-carboxamide
SMILESCC(C)Cc1cc(C(=O)N2CCCCC2c2cc(NC(=O)C3CC3c3ccc(F)c(F)c3)n[nH]2)n(C)n1
InChIInChI=1S/C27H32F2N6O2/c1-15(2)10-17-12-24(34(3)33-17)27(37)35-9-5-4-6-23(35)22-14-25(32-31-22)30-26(36)19-13-18(19)16-7-8-20(28)21(29)11-16/h7-8,11-12,14-15,18-19,23H,4-6,9-10,13H2,1-3H3,(H2,30,31,32,36)
InChIKeyAKFGKLCJPYIBJO-UHFFFAOYSA-N
MW510.59 g/mol
LogP4.73
Rot. Bonds7

About 2-(3,4-difluorophenyl)-N-[5-[1-[1-methyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperidin-2-yl]-1H-pyrazol-3-yl]cyclopropane-1-carboxamide

2-(3,4-difluorophenyl)-N-[5-[1-[1-methyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperidin-2-yl]-1H-pyrazol-3-yl]cyclopropane-1-carboxamide (PubChem CID 171683354) has the molecular formula C27H32F2N6O2 and a molecular weight of 510.59 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-N-[5-[1-[1-methyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperidin-2-yl]-1H-pyrazol-3-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-N-[5-[1-[1-methyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperidin-2-yl]-1H-pyrazol-3-yl]cyclopropane-1-carboxamide
PubChem CID171683354
Molecular FormulaC27H32F2N6O2
Molecular Weight510.59 g/mol
Exact Mass510.26
IUPAC Name2-(3,4-difluorophenyl)-N-[5-[1-[1-methyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperidin-2-yl]-1H-pyrazol-3-yl]cyclopropane-1-carboxamide
SMILESCC(C)Cc1cc(C(=O)N2CCCCC2c2cc(NC(=O)C3CC3c3ccc(F)c(F)c3)n[nH]2)n(C)n1
InChIInChI=1S/C27H32F2N6O2/c1-15(2)10-17-12-24(34(3)33-17)27(37)35-9-5-4-6-23(35)22-14-25(32-31-22)30-26(36)19-13-18(19)16-7-8-20(28)21(29)11-16/h7-8,11-12,14-15,18-19,23H,4-6,9-10,13H2,1-3H3,(H2,30,31,32,36)
InChIKeyAKFGKLCJPYIBJO-UHFFFAOYSA-N
XLogP4.73
TPSA95.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.59
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(3,4-difluorophenyl)-N-[5-[1-[1-methyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperidin-2-yl]-1H-pyrazol-3-yl]cyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-[2-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 127247275
[2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methanone
CID 110120843
[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-[2-(4-fluorophenyl)pyrrolidin-1-yl]methanone
CID 70779113
[(4aS,9aS)-4a,5-dimethyl-2,3,4,6,7,8,9,9a-octahydropyrido[3,2-b]azepin-1-yl]-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methanone
CID 110141051
[2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methanone
CID 110119644
[(2S)-2-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methanone
CID 124989865
N-[5-[1-(1-phenyl-1,2,4-triazole-3-carbonyl)piperidin-2-yl]-1H-pyrazol-3-yl]cyclohexanecarboxamide
CID 171706114
5-[2-(4-chlorophenyl)azepane-1-carbonyl]-1-methylpyrazole-3-carboxylic acid
CID 154843204
2-(3,4-difluorophenyl)-N-pyrazin-2-ylcyclopropane-1-carboxamide
CID 86794514
(2S,4S)-4-amino-1-[1-methyl-3-(2-methylpropyl)pyrazole-5-carbonyl]-N-propan-2-ylpyrrolidine-2-carboxamide
CID 56704892
N-(3-amino-3-oxopropyl)-2-[(2R)-1-[1-methyl-3-(2-methylpropyl)pyrazole-5-carbonyl]pyrrolidin-2-yl]-1,3-thiazole-4-carboxamide
CID 171680050
[2-(1-aminoethyl)piperidin-1-yl]-[2-(3,4-difluorophenyl)cyclopropyl]methanone;hydrochloride
CID 119436871

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-N-[5-[1-[1-methyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperidin-2-yl]-1H-pyrazol-3-yl]cyclopropane-1-carboxamide?
The IUPAC name of 2-(3,4-difluorophenyl)-N-[5-[1-[1-methyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperidin-2-yl]-1H-pyrazol-3-yl]cyclopropane-1-carboxamide (CID 171683354) is 2-(3,4-difluorophenyl)-N-[5-[1-[1-methyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperidin-2-yl]-1H-pyrazol-3-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(3,4-difluorophenyl)-N-[5-[1-[1-methyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperidin-2-yl]-1H-pyrazol-3-yl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-(3,4-difluorophenyl)-N-[5-[1-[1-methyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperidin-2-yl]-1H-pyrazol-3-yl]cyclopropane-1-carboxamide is CC(C)Cc1cc(C(=O)N2CCCCC2c2cc(NC(=O)C3CC3c3ccc(F)c(F)c3)n[nH]2)n(C)n1.
What is the InChIKey of 2-(3,4-difluorophenyl)-N-[5-[1-[1-methyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperidin-2-yl]-1H-pyrazol-3-yl]cyclopropane-1-carboxamide?
The InChIKey is AKFGKLCJPYIBJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32F2N6O2/c1-15(2)10-17-12-24(34(3)33-17)27(37)35-9-5-4-6-23(35)22-14-25(32-31-22)30-26(36)19-13-18(19)16-7-8-20(28)21(29)11-16/h7-8,11-12,14-15,18-19,23H,4-6,9-10,13H2,1-3H3,(H2,30,31,32,36).
What are the key properties of 2-(3,4-difluorophenyl)-N-[5-[1-[1-methyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperidin-2-yl]-1H-pyrazol-3-yl]cyclopropane-1-carboxamide?
2-(3,4-difluorophenyl)-N-[5-[1-[1-methyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperidin-2-yl]-1H-pyrazol-3-yl]cyclopropane-1-carboxamide has a molecular weight of 510.59 g/mol, XLogP of 4.73, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-N-[5-[1-[1-methyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperidin-2-yl]-1H-pyrazol-3-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 171683354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).