4-chloro-1-phenyl-3-(trifluoromethyl)pyrazole-5-carboxamide

C11H7ClF3N3O — CID 141062484

IUPAC4-chloro-1-phenyl-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESNC(=O)c1c(Cl)c(C(F)(F)F)nn1-c1ccccc1
InChIInChI=1S/C11H7ClF3N3O/c12-7-8(10(16)19)18(6-4-2-1-3-5-6)17-9(7)11(13,14)15/h1-5H,(H2,16,19)
InChIKeyLBYLMOBGGXZHRC-UHFFFAOYSA-N
MW289.64 g/mol
LogP2.64
Rot. Bonds2

About 4-chloro-1-phenyl-3-(trifluoromethyl)pyrazole-5-carboxamide

4-chloro-1-phenyl-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 141062484) has the molecular formula C11H7ClF3N3O and a molecular weight of 289.64 g/mol. Its IUPAC name is 4-chloro-1-phenyl-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-1-phenyl-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID141062484
Molecular FormulaC11H7ClF3N3O
Molecular Weight289.64 g/mol
Exact Mass289.02
IUPAC Name4-chloro-1-phenyl-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESNC(=O)c1c(Cl)c(C(F)(F)F)nn1-c1ccccc1
InChIInChI=1S/C11H7ClF3N3O/c12-7-8(10(16)19)18(6-4-2-1-3-5-6)17-9(7)11(13,14)15/h1-5H,(H2,16,19)
InChIKeyLBYLMOBGGXZHRC-UHFFFAOYSA-N
XLogP2.64
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.64
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 25148512
3-phenyl-5-(trifluoromethyl)triazole-4-carboxylic acid
CID 174629458
phenyl-[1-phenyl-3,5-bis(trifluoromethyl)pyrazol-4-yl]methanone
CID 162535186
5-chloro-1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonitrile
CID 57364445
2-[4-fluoro-1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]oxyacetic acid
CID 67815513
4-chloro-1-phenyl-3-(trifluoromethyl)pyrazolo[3,4-b]pyridine
CID 135253333
(4-chlorophenyl)-(2-phenylindazol-3-yl)methanone
CID 71481537
3-[4-chloro-5-(2-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzoic acid
CID 142429099
1-[4-amino-1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-dimethylurea
CID 25148594
[[1-(3-chlorophenyl)-4-methyl-3-(trifluoromethyl)pyrazol-5-yl]-phenylmethyl] carbamate
CID 66759630
1-(4-chlorophenyl)-4-phenyl-3-(trifluoromethyl)pyrazol-5-amine
CID 71384169
1-phenyl-3-(trifluoromethoxy)pyrazole-5-carboxamide
CID 174205540

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-phenyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of 4-chloro-1-phenyl-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 141062484) is 4-chloro-1-phenyl-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-1-phenyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-1-phenyl-3-(trifluoromethyl)pyrazole-5-carboxamide is NC(=O)c1c(Cl)c(C(F)(F)F)nn1-c1ccccc1.
What is the InChIKey of 4-chloro-1-phenyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is LBYLMOBGGXZHRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClF3N3O/c12-7-8(10(16)19)18(6-4-2-1-3-5-6)17-9(7)11(13,14)15/h1-5H,(H2,16,19).
What are the key properties of 4-chloro-1-phenyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
4-chloro-1-phenyl-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 289.64 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-phenyl-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 141062484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).