1-(2-chlorophenyl)-N-[2-methyl-6-(1-methylimidazol-2-yl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide

C22H17ClF3N5O — CID 69023654

IUPAC1-(2-chlorophenyl)-N-[2-methyl-6-(1-methylimidazol-2-yl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCc1cccc(-c2nccn2C)c1NC(=O)c1cc(C(F)(F)F)nn1-c1ccccc1Cl
InChIInChI=1S/C22H17ClF3N5O/c1-13-6-5-7-14(20-27-10-11-30(20)2)19(13)28-21(32)17-12-18(22(24,25)26)29-31(17)16-9-4-3-8-15(16)23/h3-12H,1-2H3,(H,28,32)
InChIKeyNSCNFUDBRYQEGV-UHFFFAOYSA-N
MW459.86 g/mol
LogP5.51
Rot. Bonds4

About 1-(2-chlorophenyl)-N-[2-methyl-6-(1-methylimidazol-2-yl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide

1-(2-chlorophenyl)-N-[2-methyl-6-(1-methylimidazol-2-yl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 69023654) has the molecular formula C22H17ClF3N5O and a molecular weight of 459.86 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-[2-methyl-6-(1-methylimidazol-2-yl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-[2-methyl-6-(1-methylimidazol-2-yl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID69023654
Molecular FormulaC22H17ClF3N5O
Molecular Weight459.86 g/mol
Exact Mass459.11
IUPAC Name1-(2-chlorophenyl)-N-[2-methyl-6-(1-methylimidazol-2-yl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCc1cccc(-c2nccn2C)c1NC(=O)c1cc(C(F)(F)F)nn1-c1ccccc1Cl
InChIInChI=1S/C22H17ClF3N5O/c1-13-6-5-7-14(20-27-10-11-30(20)2)19(13)28-21(32)17-12-18(22(24,25)26)29-31(17)16-9-4-3-8-15(16)23/h3-12H,1-2H3,(H,28,32)
InChIKeyNSCNFUDBRYQEGV-UHFFFAOYSA-N
XLogP5.51
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.86
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-[2-methyl-6-(1-methylimidazol-2-yl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of 1-(2-chlorophenyl)-N-[2-methyl-6-(1-methylimidazol-2-yl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 69023654) is 1-(2-chlorophenyl)-N-[2-methyl-6-(1-methylimidazol-2-yl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N-[2-methyl-6-(1-methylimidazol-2-yl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for 1-(2-chlorophenyl)-N-[2-methyl-6-(1-methylimidazol-2-yl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide is Cc1cccc(-c2nccn2C)c1NC(=O)c1cc(C(F)(F)F)nn1-c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-N-[2-methyl-6-(1-methylimidazol-2-yl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is NSCNFUDBRYQEGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClF3N5O/c1-13-6-5-7-14(20-27-10-11-30(20)2)19(13)28-21(32)17-12-18(22(24,25)26)29-31(17)16-9-4-3-8-15(16)23/h3-12H,1-2H3,(H,28,32).
What are the key properties of 1-(2-chlorophenyl)-N-[2-methyl-6-(1-methylimidazol-2-yl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
1-(2-chlorophenyl)-N-[2-methyl-6-(1-methylimidazol-2-yl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 459.86 g/mol, XLogP of 5.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-[2-methyl-6-(1-methylimidazol-2-yl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 69023654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).