4-chloro-N-[2-fluoro-5-(trifluoromethyl)phenyl]-1-methylpyrazole-5-carboxamide

C12H8ClF4N3O — CID 844747

IUPAC4-chloro-N-[2-fluoro-5-(trifluoromethyl)phenyl]-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(Cl)c1C(=O)Nc1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C12H8ClF4N3O/c1-20-10(7(13)5-18-20)11(21)19-9-4-6(12(15,16)17)2-3-8(9)14/h2-5H,1H3,(H,19,21)
InChIKeyFDZQQPMIHMLKKM-UHFFFAOYSA-N
MW321.66 g/mol
LogP3.48
Rot. Bonds2

About 4-chloro-N-[2-fluoro-5-(trifluoromethyl)phenyl]-1-methylpyrazole-5-carboxamide

4-chloro-N-[2-fluoro-5-(trifluoromethyl)phenyl]-1-methylpyrazole-5-carboxamide (PubChem CID 844747) has the molecular formula C12H8ClF4N3O and a molecular weight of 321.66 g/mol. Its IUPAC name is 4-chloro-N-[2-fluoro-5-(trifluoromethyl)phenyl]-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[2-fluoro-5-(trifluoromethyl)phenyl]-1-methylpyrazole-5-carboxamide
PubChem CID844747
Molecular FormulaC12H8ClF4N3O
Molecular Weight321.66 g/mol
Exact Mass321.03
IUPAC Name4-chloro-N-[2-fluoro-5-(trifluoromethyl)phenyl]-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(Cl)c1C(=O)Nc1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C12H8ClF4N3O/c1-20-10(7(13)5-18-20)11(21)19-9-4-6(12(15,16)17)2-3-8(9)14/h2-5H,1H3,(H,19,21)
InChIKeyFDZQQPMIHMLKKM-UHFFFAOYSA-N
XLogP3.48
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.66
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-chloro-N-[2-fluoro-5-(trifluoromethyl)phenyl]-1-methylpyrazole-5-carboxamide 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

4-chloro-1-ethyl-N-[3-(4-morpholinylmethyl)phenyl]-1H-pyrazole-3-carboxamide
CID 843671
N-(2,3-dimethylphenyl)-1-ethyl-1H-pyrazole-5-carboxamide
CID 1084338
N-[3,5-dimethyl-1-(2,3,4,5,6-pentafluorobenzyl)-1H-pyrazol-4-yl]-1-methyl-1H-pyrazole-5-carboxamide
CID 3299137
N-(4-chlorophenyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 1490704
4-bromo-2-methyl-N-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 790519
4-chloro-1-ethyl-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-3-carboxamide
CID 1511737
4-chloro-N-(2,3-dihydro-1H-inden-5-yl)-1-methyl-1H-pyrazole-5-carboxamide
CID 6469501
N-(3-chlorophenyl)-1-ethyl-1H-pyrazole-3-carboxamide
CID 891989
4-[(4-chloro-1H-pyrazol-1-yl)methyl]-N-(2-fluoro-5-methylphenyl)benzamide
CID 892256
4-chloro-N-(3-chlorophenyl)-1-methyl-1H-pyrazole-5-carboxamide
CID 903329
4-chloro-N-[1-(4-fluorobenzyl)-1H-pyrazol-4-yl]-1-methyl-1H-pyrazole-3-carboxamide
CID 1223574
N-[2-(aminocarbonyl)phenyl]-4-chloro-1-ethyl-1H-pyrazole-3-carboxamide
CID 1511748

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-fluoro-5-(trifluoromethyl)phenyl]-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-chloro-N-[2-fluoro-5-(trifluoromethyl)phenyl]-1-methylpyrazole-5-carboxamide (CID 844747) is 4-chloro-N-[2-fluoro-5-(trifluoromethyl)phenyl]-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-N-[2-fluoro-5-(trifluoromethyl)phenyl]-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-N-[2-fluoro-5-(trifluoromethyl)phenyl]-1-methylpyrazole-5-carboxamide is Cn1ncc(Cl)c1C(=O)Nc1cc(C(F)(F)F)ccc1F.
What is the InChIKey of 4-chloro-N-[2-fluoro-5-(trifluoromethyl)phenyl]-1-methylpyrazole-5-carboxamide?
The InChIKey is FDZQQPMIHMLKKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClF4N3O/c1-20-10(7(13)5-18-20)11(21)19-9-4-6(12(15,16)17)2-3-8(9)14/h2-5H,1H3,(H,19,21).
What are the key properties of 4-chloro-N-[2-fluoro-5-(trifluoromethyl)phenyl]-1-methylpyrazole-5-carboxamide?
4-chloro-N-[2-fluoro-5-(trifluoromethyl)phenyl]-1-methylpyrazole-5-carboxamide has a molecular weight of 321.66 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-fluoro-5-(trifluoromethyl)phenyl]-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 844747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).