4-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]-1-methylpyrazole-3-carboxamide

C12H10ClF3N4O — CID 116698676

IUPAC4-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]-1-methylpyrazole-3-carboxamide
SMILESCn1cc(N)c(C(=O)Nc2cc(Cl)cc(C(F)(F)F)c2)n1
InChIInChI=1S/C12H10ClF3N4O/c1-20-5-9(17)10(19-20)11(21)18-8-3-6(12(14,15)16)2-7(13)4-8/h2-5H,17H2,1H3,(H,18,21)
InChIKeyVRURWZQAIZJQJX-UHFFFAOYSA-N
MW318.69 g/mol
LogP2.93
Rot. Bonds2

About 4-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]-1-methylpyrazole-3-carboxamide

4-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]-1-methylpyrazole-3-carboxamide (PubChem CID 116698676) has the molecular formula C12H10ClF3N4O and a molecular weight of 318.69 g/mol. Its IUPAC name is 4-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]-1-methylpyrazole-3-carboxamide
PubChem CID116698676
Molecular FormulaC12H10ClF3N4O
Molecular Weight318.69 g/mol
Exact Mass318.05
IUPAC Name4-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]-1-methylpyrazole-3-carboxamide
SMILESCn1cc(N)c(C(=O)Nc2cc(Cl)cc(C(F)(F)F)c2)n1
InChIInChI=1S/C12H10ClF3N4O/c1-20-5-9(17)10(19-20)11(21)18-8-3-6(12(14,15)16)2-7(13)4-8/h2-5H,17H2,1H3,(H,18,21)
InChIKeyVRURWZQAIZJQJX-UHFFFAOYSA-N
XLogP2.93
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.69
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]-1-methylpyrazole-3-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-amino-1-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 66481317
4-amino-N-(5-chloro-2-fluorophenyl)-1-methylpyrazole-3-carboxamide
CID 65355117
4-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]-5-methylthiophene-2-carboxamide
CID 116698668
3-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide
CID 116698677
3-chloro-N-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)benzamide
CID 99700724
4-amino-N-(4-chloro-3-cyanophenyl)-1-methylpyrazole-3-carboxamide
CID 65354494
4-amino-N-[4-bromo-2-(trifluoromethyl)phenyl]-1-methylpyrazole-3-carboxamide
CID 65355175
2-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 116699767
4-amino-1-methyl-N-(3,3,3-trifluoropropyl)pyrazole-3-carboxamide
CID 65354392
2-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]-2-ethylbutanamide
CID 116699866
4-amino-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-1-methylpyrazole-3-carboxamide
CID 65354860
methyl 2-[3-chloro-5-(trifluoromethyl)anilino]-2-oxoacetate
CID 116700746

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]-1-methylpyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]-1-methylpyrazole-3-carboxamide (CID 116698676) is 4-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]-1-methylpyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]-1-methylpyrazole-3-carboxamide is Cn1cc(N)c(C(=O)Nc2cc(Cl)cc(C(F)(F)F)c2)n1.
What is the InChIKey of 4-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]-1-methylpyrazole-3-carboxamide?
The InChIKey is VRURWZQAIZJQJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClF3N4O/c1-20-5-9(17)10(19-20)11(21)18-8-3-6(12(14,15)16)2-7(13)4-8/h2-5H,17H2,1H3,(H,18,21).
What are the key properties of 4-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]-1-methylpyrazole-3-carboxamide?
4-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]-1-methylpyrazole-3-carboxamide has a molecular weight of 318.69 g/mol, XLogP of 2.93, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 116698676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).