N-(3-acetyl-1-chloronaphthalen-2-yl)-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide

C22H13Cl2F3N4O2 — CID 162603274

IUPACN-(3-acetyl-1-chloronaphthalen-2-yl)-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCC(=O)c1cc2ccccc2c(Cl)c1NC(=O)c1cc(C(F)(F)F)nn1-c1ncccc1Cl
InChIInChI=1S/C22H13Cl2F3N4O2/c1-11(32)14-9-12-5-2-3-6-13(12)18(24)19(14)29-21(33)16-10-17(22(25,26)27)30-31(16)20-15(23)7-4-8-28-20/h2-10H,1H3,(H,29,33)
InChIKeyPUDJBGYFCVYITH-UHFFFAOYSA-N
MW493.27 g/mol
LogP6.20
Rot. Bonds4

About N-(3-acetyl-1-chloronaphthalen-2-yl)-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide

N-(3-acetyl-1-chloronaphthalen-2-yl)-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 162603274) has the molecular formula C22H13Cl2F3N4O2 and a molecular weight of 493.27 g/mol. Its IUPAC name is N-(3-acetyl-1-chloronaphthalen-2-yl)-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-acetyl-1-chloronaphthalen-2-yl)-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID162603274
Molecular FormulaC22H13Cl2F3N4O2
Molecular Weight493.27 g/mol
Exact Mass492.04
IUPAC NameN-(3-acetyl-1-chloronaphthalen-2-yl)-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCC(=O)c1cc2ccccc2c(Cl)c1NC(=O)c1cc(C(F)(F)F)nn1-c1ncccc1Cl
InChIInChI=1S/C22H13Cl2F3N4O2/c1-11(32)14-9-12-5-2-3-6-13(12)18(24)19(14)29-21(33)16-10-17(22(25,26)27)30-31(16)20-15(23)7-4-8-28-20/h2-10H,1H3,(H,29,33)
InChIKeyPUDJBGYFCVYITH-UHFFFAOYSA-N
XLogP6.20
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.27
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-chloro-3-[[2-(methylamino)-2-oxoethyl]carbamoyl]naphthalen-2-yl]-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 70840797
N-[1-chloro-3-[(2-ethylsulfanyl-2-methylpropyl)carbamoyl]naphthalen-2-yl]-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 59022751
N-[1-bromo-3-(methylcarbamoyl)naphthalen-2-yl]-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 59514625
1-(3-chloro-2-pyridinyl)-N-[1-chloro-3-(1-thiophen-3-ylethylcarbamoyl)naphthalen-2-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 59022653
4-chloro-3-[[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]quinoline-2-carboxamide
CID 167472651
N-[1-chloro-3-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl]naphthalen-2-yl]-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 59022630
N-[3-[[4-(1,3-benzothiazol-2-ylmethoxy)-6-methylcyclohexa-1,3-dien-1-yl]carbamoyl]-1-chloronaphthalen-2-yl]-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 70858718
N-(3-carbamoyl-1-chloronaphthalen-2-yl)-1-(3-chloro-2-pyridinyl)-3-(2,2,3,3,3-pentafluoropropoxy)pyrazole-5-carboxamide
CID 167472704
5-chloro-2-[[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]-3-methylbenzoyl chloride
CID 118471380
N-(2-carbamoyl-4-chloro-6-methylphenyl)-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 90356835
1-(3-chloro-2-pyridinyl)-N-[2,4-dichloro-6-[hydroxy(methylamino)methyl]phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 163641538
amino-[2-[[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]-3,5-dimethylbenzoyl]azanide;ethane;methanol;yttrium
CID 145498277

Frequently Asked Questions

What is the IUPAC name of N-(3-acetyl-1-chloronaphthalen-2-yl)-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of N-(3-acetyl-1-chloronaphthalen-2-yl)-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 162603274) is N-(3-acetyl-1-chloronaphthalen-2-yl)-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for N-(3-acetyl-1-chloronaphthalen-2-yl)-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for N-(3-acetyl-1-chloronaphthalen-2-yl)-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide is CC(=O)c1cc2ccccc2c(Cl)c1NC(=O)c1cc(C(F)(F)F)nn1-c1ncccc1Cl.
What is the InChIKey of N-(3-acetyl-1-chloronaphthalen-2-yl)-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is PUDJBGYFCVYITH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13Cl2F3N4O2/c1-11(32)14-9-12-5-2-3-6-13(12)18(24)19(14)29-21(33)16-10-17(22(25,26)27)30-31(16)20-15(23)7-4-8-28-20/h2-10H,1H3,(H,29,33).
What are the key properties of N-(3-acetyl-1-chloronaphthalen-2-yl)-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide?
N-(3-acetyl-1-chloronaphthalen-2-yl)-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 493.27 g/mol, XLogP of 6.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetyl-1-chloronaphthalen-2-yl)-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 162603274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).