2-chloro-N-(4-methyl-1-phenylpyrazol-5-yl)-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide

C22H17ClF3N5O — CID 118392834

IUPAC2-chloro-N-(4-methyl-1-phenylpyrazol-5-yl)-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide
SMILESCc1cnn(-c2ccccc2)c1NC(=O)c1cc(-c2ccn(C)n2)c(C(F)(F)F)cc1Cl
InChIInChI=1S/C22H17ClF3N5O/c1-13-12-27-31(14-6-4-3-5-7-14)20(13)28-21(32)16-10-15(19-8-9-30(2)29-19)17(11-18(16)23)22(24,25)26/h3-12H,1-2H3,(H,28,32)
InChIKeyDLOOXXASXBTVDE-UHFFFAOYSA-N
MW459.86 g/mol
LogP5.51
Rot. Bonds4

About 2-chloro-N-(4-methyl-1-phenylpyrazol-5-yl)-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide

2-chloro-N-(4-methyl-1-phenylpyrazol-5-yl)-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide (PubChem CID 118392834) has the molecular formula C22H17ClF3N5O and a molecular weight of 459.86 g/mol. Its IUPAC name is 2-chloro-N-(4-methyl-1-phenylpyrazol-5-yl)-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(4-methyl-1-phenylpyrazol-5-yl)-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide
PubChem CID118392834
Molecular FormulaC22H17ClF3N5O
Molecular Weight459.86 g/mol
Exact Mass459.11
IUPAC Name2-chloro-N-(4-methyl-1-phenylpyrazol-5-yl)-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide
SMILESCc1cnn(-c2ccccc2)c1NC(=O)c1cc(-c2ccn(C)n2)c(C(F)(F)F)cc1Cl
InChIInChI=1S/C22H17ClF3N5O/c1-13-12-27-31(14-6-4-3-5-7-14)20(13)28-21(32)16-10-15(19-8-9-30(2)29-19)17(11-18(16)23)22(24,25)26/h3-12H,1-2H3,(H,28,32)
InChIKeyDLOOXXASXBTVDE-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

Analyze 2-chloro-N-(4-methyl-1-phenylpyrazol-5-yl)-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide 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

Tigolaner
CID 77847513
5-(2-chloro-4-fluoro-5-(3-fluoropyridin-2-yl)benzamido)-1-phenyl-1H-pyrazole-3-carboxamide
CID 118497013
5-[(2,4-Dichloro-5-pyridin-2-ylbenzoyl)amino]-1-phenylpyrazole-3-carboxamide
CID 118497153
5-(2-chloro-5-(3-fluoropyridin-2-yl)benzamido)-1-phenyl-1H-pyrazole-3-carboxamide
CID 118497161
5-[[2-Chloro-5-(3-chloro-2-pyridinyl)benzoyl]amino]-1-phenylpyrazole-3-carboxamide
CID 118505217
5-[(2-Chloro-4-methyl-5-pyridin-2-ylbenzoyl)amino]-1-phenylpyrazole-3-carboxamide
CID 118505223
5-[(2-Chloro-4-fluoro-5-pyridin-2-ylbenzoyl)amino]-1-phenylpyrazole-3-carboxamide
CID 118505224
5-[[2-chloro-5-pyridin-2-yl-4-(trifluoromethyl)benzoyl]amino]-N-(2-hydroxyethyl)-1-phenylpyrazole-3-carboxamide
CID 126962607
5-[(2-Chloro-4-cyclopropyl-5-pyridin-2-ylbenzoyl)amino]-1-phenylpyrazole-3-carboxamide
CID 126962650
2-[(3-chlorophenyl)methyl]-6-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-3H-isoindol-1-one
CID 146634738
2-chloro-5-(1-methyl-1H-pyrazol-3-yl)-N-(1-phenyl-3-pyridin-4-yl-1H-pyrazol-5-yl)-4-(trifluoromethyl)benzamide
CID 91933847
2-chloro-5-(1-methyl-1H-pyrazol-3-yl)-N-{3-[(1-methyl-1H-tetrazol-5-yl)methyl]-1-phenyl-1H-pyrazol-5-yl}-4-(trifluoromethyl)benzamide
CID 118392871

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-methyl-1-phenylpyrazol-5-yl)-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide?
The IUPAC name of 2-chloro-N-(4-methyl-1-phenylpyrazol-5-yl)-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide (CID 118392834) is 2-chloro-N-(4-methyl-1-phenylpyrazol-5-yl)-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-chloro-N-(4-methyl-1-phenylpyrazol-5-yl)-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for 2-chloro-N-(4-methyl-1-phenylpyrazol-5-yl)-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide is Cc1cnn(-c2ccccc2)c1NC(=O)c1cc(-c2ccn(C)n2)c(C(F)(F)F)cc1Cl.
What is the InChIKey of 2-chloro-N-(4-methyl-1-phenylpyrazol-5-yl)-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide?
The InChIKey is DLOOXXASXBTVDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClF3N5O/c1-13-12-27-31(14-6-4-3-5-7-14)20(13)28-21(32)16-10-15(19-8-9-30(2)29-19)17(11-18(16)23)22(24,25)26/h3-12H,1-2H3,(H,28,32).
What are the key properties of 2-chloro-N-(4-methyl-1-phenylpyrazol-5-yl)-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide?
2-chloro-N-(4-methyl-1-phenylpyrazol-5-yl)-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide 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 2-chloro-N-(4-methyl-1-phenylpyrazol-5-yl)-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 118392834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).