1-(3-chloro-2-pyridinyl)-N-[2-(cyclopropylmethylcarbamoyl)-6-methylphenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide

C22H19ClF3N5O2 — CID 11648616

IUPAC1-(3-chloro-2-pyridinyl)-N-[2-(cyclopropylmethylcarbamoyl)-6-methylphenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCc1cccc(C(=O)NCC2CC2)c1NC(=O)c1cc(C(F)(F)F)nn1-c1ncccc1Cl
InChIInChI=1S/C22H19ClF3N5O2/c1-12-4-2-5-14(20(32)28-11-13-7-8-13)18(12)29-21(33)16-10-17(22(24,25)26)30-31(16)19-15(23)6-3-9-27-19/h2-6,9-10,13H,7-8,11H2,1H3,(H,28,32)(H,29,33)
InChIKeyNCYRPYFCCGORIO-UHFFFAOYSA-N
MW477.87 g/mol
LogP4.64
Rot. Bonds6

About 1-(3-chloro-2-pyridinyl)-N-[2-(cyclopropylmethylcarbamoyl)-6-methylphenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide

1-(3-chloro-2-pyridinyl)-N-[2-(cyclopropylmethylcarbamoyl)-6-methylphenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 11648616) has the molecular formula C22H19ClF3N5O2 and a molecular weight of 477.87 g/mol. Its IUPAC name is 1-(3-chloro-2-pyridinyl)-N-[2-(cyclopropylmethylcarbamoyl)-6-methylphenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-(3-chloro-2-pyridinyl)-N-[2-(cyclopropylmethylcarbamoyl)-6-methylphenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID11648616
Molecular FormulaC22H19ClF3N5O2
Molecular Weight477.87 g/mol
Exact Mass477.12
IUPAC Name1-(3-chloro-2-pyridinyl)-N-[2-(cyclopropylmethylcarbamoyl)-6-methylphenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCc1cccc(C(=O)NCC2CC2)c1NC(=O)c1cc(C(F)(F)F)nn1-c1ncccc1Cl
InChIInChI=1S/C22H19ClF3N5O2/c1-12-4-2-5-14(20(32)28-11-13-7-8-13)18(12)29-21(33)16-10-17(22(24,25)26)30-31(16)19-15(23)6-3-9-27-19/h2-6,9-10,13H,7-8,11H2,1H3,(H,28,32)(H,29,33)
InChIKeyNCYRPYFCCGORIO-UHFFFAOYSA-N
XLogP4.64
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.87
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-pyridinyl)-N-[2-(cyclopropylmethylcarbamoyl)-6-methylphenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of 1-(3-chloro-2-pyridinyl)-N-[2-(cyclopropylmethylcarbamoyl)-6-methylphenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 11648616) is 1-(3-chloro-2-pyridinyl)-N-[2-(cyclopropylmethylcarbamoyl)-6-methylphenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 1-(3-chloro-2-pyridinyl)-N-[2-(cyclopropylmethylcarbamoyl)-6-methylphenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for 1-(3-chloro-2-pyridinyl)-N-[2-(cyclopropylmethylcarbamoyl)-6-methylphenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide is Cc1cccc(C(=O)NCC2CC2)c1NC(=O)c1cc(C(F)(F)F)nn1-c1ncccc1Cl.
What is the InChIKey of 1-(3-chloro-2-pyridinyl)-N-[2-(cyclopropylmethylcarbamoyl)-6-methylphenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is NCYRPYFCCGORIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClF3N5O2/c1-12-4-2-5-14(20(32)28-11-13-7-8-13)18(12)29-21(33)16-10-17(22(24,25)26)30-31(16)19-15(23)6-3-9-27-19/h2-6,9-10,13H,7-8,11H2,1H3,(H,28,32)(H,29,33).
What are the key properties of 1-(3-chloro-2-pyridinyl)-N-[2-(cyclopropylmethylcarbamoyl)-6-methylphenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
1-(3-chloro-2-pyridinyl)-N-[2-(cyclopropylmethylcarbamoyl)-6-methylphenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 477.87 g/mol, XLogP of 4.64, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-pyridinyl)-N-[2-(cyclopropylmethylcarbamoyl)-6-methylphenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 11648616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).