1-(1-acetylpiperidin-4-yl)-4-chloro-N-[3-methyl-5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]pyrazole-5-carboxamide

C24H23ClF3N5O3 — CID 171601470

IUPAC1-(1-acetylpiperidin-4-yl)-4-chloro-N-[3-methyl-5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]pyrazole-5-carboxamide
SMILESCC(=O)N1CCC(n2ncc(Cl)c2C(=O)Nc2ncc(-c3ccc(OC(F)(F)F)cc3)cc2C)CC1
InChIInChI=1S/C24H23ClF3N5O3/c1-14-11-17(16-3-5-19(6-4-16)36-24(26,27)28)12-29-22(14)31-23(35)21-20(25)13-30-33(21)18-7-9-32(10-8-18)15(2)34/h3-6,11-13,18H,7-10H2,1-2H3,(H,29,31,35)
InChIKeyBVUWBHAIZYCDON-UHFFFAOYSA-N
MW521.93 g/mol
LogP5.24
Rot. Bonds5

About 1-(1-acetylpiperidin-4-yl)-4-chloro-N-[3-methyl-5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]pyrazole-5-carboxamide

1-(1-acetylpiperidin-4-yl)-4-chloro-N-[3-methyl-5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]pyrazole-5-carboxamide (PubChem CID 171601470) has the molecular formula C24H23ClF3N5O3 and a molecular weight of 521.93 g/mol. Its IUPAC name is 1-(1-acetylpiperidin-4-yl)-4-chloro-N-[3-methyl-5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-(1-acetylpiperidin-4-yl)-4-chloro-N-[3-methyl-5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]pyrazole-5-carboxamide
PubChem CID171601470
Molecular FormulaC24H23ClF3N5O3
Molecular Weight521.93 g/mol
Exact Mass521.14
IUPAC Name1-(1-acetylpiperidin-4-yl)-4-chloro-N-[3-methyl-5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]pyrazole-5-carboxamide
SMILESCC(=O)N1CCC(n2ncc(Cl)c2C(=O)Nc2ncc(-c3ccc(OC(F)(F)F)cc3)cc2C)CC1
InChIInChI=1S/C24H23ClF3N5O3/c1-14-11-17(16-3-5-19(6-4-16)36-24(26,27)28)12-29-22(14)31-23(35)21-20(25)13-30-33(21)18-7-9-32(10-8-18)15(2)34/h3-6,11-13,18H,7-10H2,1-2H3,(H,29,31,35)
InChIKeyBVUWBHAIZYCDON-UHFFFAOYSA-N
XLogP5.24
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.93
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl 4-[4-chloro-5-[[5-(6-methoxy-3-pyridinyl)-3-methyl-2-pyridinyl]carbamoyl]pyrazol-1-yl]piperidine-1-carboxylate
CID 171601323
1-(1-acetylazetidin-3-yl)-4-chloro-N-[3-methyl-5-(2-phenylethynyl)-2-pyridinyl]pyrazole-5-carboxamide
CID 171601512
1-[(3S,4R)-1-acetyl-3-fluoropiperidin-4-yl]-4-chloro-N-[3-methyl-5-(2-phenylethynyl)-2-pyridinyl]pyrazole-5-carboxamide
CID 171601461
1-[(3aR,6aS)-2-acetyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-4-chloro-N-[3-methyl-5-(2-phenylethynyl)-2-pyridinyl]pyrazole-5-carboxamide
CID 171601432
tert-butyl N-[4-[4-chloro-5-[[3-methyl-5-(2-phenylethynyl)-2-pyridinyl]carbamoyl]pyrazol-1-yl]cyclohexyl]carbamate
CID 156730448
2-chloro-5-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxylic acid
CID 53224310
tert-butyl 4-[3-[[2,6-dichloro-4-[4-(trifluoromethoxy)phenyl]phenyl]methyl]-2-oxopyrrolidin-1-yl]piperidine-1-carboxylate
CID 66671541
1-[(3aR,6aS)-2-(2-methylpropanoyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-4-chloro-N-[3-methyl-5-(2-phenylethynyl)-2-pyridinyl]pyrazole-5-carboxamide
CID 171601498
1-[4-[5-[6-(dimethylamino)-3-pyridinyl]-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone
CID 166399532
1-[4-[2-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]piperazin-1-yl]ethanone
CID 139573877
2-(4-chloro-5-methylpyrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 19520566
1-[(3aR,6aS)-2-(cyclopropanecarbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-4-chloro-N-[3-methyl-5-(2-thiophen-2-ylethynyl)-2-pyridinyl]pyrazole-5-carboxamide
CID 171601542

Frequently Asked Questions

What is the IUPAC name of 1-(1-acetylpiperidin-4-yl)-4-chloro-N-[3-methyl-5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]pyrazole-5-carboxamide?
The IUPAC name of 1-(1-acetylpiperidin-4-yl)-4-chloro-N-[3-methyl-5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]pyrazole-5-carboxamide (CID 171601470) is 1-(1-acetylpiperidin-4-yl)-4-chloro-N-[3-methyl-5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]pyrazole-5-carboxamide.
What is the SMILES notation for 1-(1-acetylpiperidin-4-yl)-4-chloro-N-[3-methyl-5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]pyrazole-5-carboxamide?
The canonical SMILES for 1-(1-acetylpiperidin-4-yl)-4-chloro-N-[3-methyl-5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]pyrazole-5-carboxamide is CC(=O)N1CCC(n2ncc(Cl)c2C(=O)Nc2ncc(-c3ccc(OC(F)(F)F)cc3)cc2C)CC1.
What is the InChIKey of 1-(1-acetylpiperidin-4-yl)-4-chloro-N-[3-methyl-5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]pyrazole-5-carboxamide?
The InChIKey is BVUWBHAIZYCDON-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClF3N5O3/c1-14-11-17(16-3-5-19(6-4-16)36-24(26,27)28)12-29-22(14)31-23(35)21-20(25)13-30-33(21)18-7-9-32(10-8-18)15(2)34/h3-6,11-13,18H,7-10H2,1-2H3,(H,29,31,35).
What are the key properties of 1-(1-acetylpiperidin-4-yl)-4-chloro-N-[3-methyl-5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]pyrazole-5-carboxamide?
1-(1-acetylpiperidin-4-yl)-4-chloro-N-[3-methyl-5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]pyrazole-5-carboxamide has a molecular weight of 521.93 g/mol, XLogP of 5.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-acetylpiperidin-4-yl)-4-chloro-N-[3-methyl-5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]pyrazole-5-carboxamide is sourced from PubChem (CID 171601470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).