5-[[2-chloro-4-(trifluoromethyl)benzoyl]amino]-1-phenylpyrazole-3-carboxylic acid

C18H11ClF3N3O3 — CID 118392848

IUPAC5-[[2-chloro-4-(trifluoromethyl)benzoyl]amino]-1-phenylpyrazole-3-carboxylic acid
SMILESO=C(O)c1cc(NC(=O)c2ccc(C(F)(F)F)cc2Cl)n(-c2ccccc2)n1
InChIInChI=1S/C18H11ClF3N3O3/c19-13-8-10(18(20,21)22)6-7-12(13)16(26)23-15-9-14(17(27)28)24-25(15)11-4-2-1-3-5-11/h1-9H,(H,23,26)(H,27,28)
InChIKeyALRGHNNLBNPOIO-UHFFFAOYSA-N
MW409.75 g/mol
LogP4.49
Rot. Bonds4

About 5-[[2-chloro-4-(trifluoromethyl)benzoyl]amino]-1-phenylpyrazole-3-carboxylic acid

5-[[2-chloro-4-(trifluoromethyl)benzoyl]amino]-1-phenylpyrazole-3-carboxylic acid (PubChem CID 118392848) has the molecular formula C18H11ClF3N3O3 and a molecular weight of 409.75 g/mol. Its IUPAC name is 5-[[2-chloro-4-(trifluoromethyl)benzoyl]amino]-1-phenylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[[2-chloro-4-(trifluoromethyl)benzoyl]amino]-1-phenylpyrazole-3-carboxylic acid
PubChem CID118392848
Molecular FormulaC18H11ClF3N3O3
Molecular Weight409.75 g/mol
Exact Mass409.04
IUPAC Name5-[[2-chloro-4-(trifluoromethyl)benzoyl]amino]-1-phenylpyrazole-3-carboxylic acid
SMILESO=C(O)c1cc(NC(=O)c2ccc(C(F)(F)F)cc2Cl)n(-c2ccccc2)n1
InChIInChI=1S/C18H11ClF3N3O3/c19-13-8-10(18(20,21)22)6-7-12(13)16(26)23-15-9-14(17(27)28)24-25(15)11-4-2-1-3-5-11/h1-9H,(H,23,26)(H,27,28)
InChIKeyALRGHNNLBNPOIO-UHFFFAOYSA-N
XLogP4.49
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.75
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2-chlorobenzoyl)amino]-1-phenylpyrazole-3-carboxylic acid
CID 23630922
2-chloro-4-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide
CID 139009806
ethyl 5-[(2-chlorobenzoyl)amino]-1-phenylpyrazole-3-carboxylate
CID 23630616
5-[(2-chlorobenzoyl)amino]-1-methylpyrazole-3-carboxylic acid
CID 68759354
2-chloro-N-[3-cyano-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyrazol-5-yl]benzamide
CID 139067605
2-chloro-4-fluoro-N-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]benzamide
CID 46088054
5-[[2-chloro-5-[6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]benzoyl]amino]-1-phenylpyrazole-3-carboxylic acid
CID 118456261
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide
CID 2470701
2-chloro-3-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide
CID 138993742
2-chloro-4,5-dimethoxy-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide
CID 138993021
N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2,3-dichlorobenzamide
CID 46088066
5-[[5-(6-amino-3-fluoro-2-pyridinyl)-2-chlorobenzoyl]amino]-1-phenylpyrazole-3-carboxamide
CID 118456284

Frequently Asked Questions

What is the IUPAC name of 5-[[2-chloro-4-(trifluoromethyl)benzoyl]amino]-1-phenylpyrazole-3-carboxylic acid?
The IUPAC name of 5-[[2-chloro-4-(trifluoromethyl)benzoyl]amino]-1-phenylpyrazole-3-carboxylic acid (CID 118392848) is 5-[[2-chloro-4-(trifluoromethyl)benzoyl]amino]-1-phenylpyrazole-3-carboxylic acid.
What is the SMILES notation for 5-[[2-chloro-4-(trifluoromethyl)benzoyl]amino]-1-phenylpyrazole-3-carboxylic acid?
The canonical SMILES for 5-[[2-chloro-4-(trifluoromethyl)benzoyl]amino]-1-phenylpyrazole-3-carboxylic acid is O=C(O)c1cc(NC(=O)c2ccc(C(F)(F)F)cc2Cl)n(-c2ccccc2)n1.
What is the InChIKey of 5-[[2-chloro-4-(trifluoromethyl)benzoyl]amino]-1-phenylpyrazole-3-carboxylic acid?
The InChIKey is ALRGHNNLBNPOIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClF3N3O3/c19-13-8-10(18(20,21)22)6-7-12(13)16(26)23-15-9-14(17(27)28)24-25(15)11-4-2-1-3-5-11/h1-9H,(H,23,26)(H,27,28).
What are the key properties of 5-[[2-chloro-4-(trifluoromethyl)benzoyl]amino]-1-phenylpyrazole-3-carboxylic acid?
5-[[2-chloro-4-(trifluoromethyl)benzoyl]amino]-1-phenylpyrazole-3-carboxylic acid has a molecular weight of 409.75 g/mol, XLogP of 4.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-chloro-4-(trifluoromethyl)benzoyl]amino]-1-phenylpyrazole-3-carboxylic acid is sourced from PubChem (CID 118392848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).