4-chloro-N-[(1-ethylpyrazol-3-yl)methyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide

C12H13ClF3N5O — CID 19481676

IUPAC4-chloro-N-[(1-ethylpyrazol-3-yl)methyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCCn1ccc(CNC(=O)c2c(Cl)c(C(F)(F)F)nn2C)n1
InChIInChI=1S/C12H13ClF3N5O/c1-3-21-5-4-7(18-21)6-17-11(22)9-8(13)10(12(14,15)16)19-20(9)2/h4-5H,3,6H2,1-2H3,(H,17,22)
InChIKeyGHGSPIFCIKSRPM-UHFFFAOYSA-N
MW335.72 g/mol
LogP2.24
Rot. Bonds4

About 4-chloro-N-[(1-ethylpyrazol-3-yl)methyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide

4-chloro-N-[(1-ethylpyrazol-3-yl)methyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 19481676) has the molecular formula C12H13ClF3N5O and a molecular weight of 335.72 g/mol. Its IUPAC name is 4-chloro-N-[(1-ethylpyrazol-3-yl)methyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[(1-ethylpyrazol-3-yl)methyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID19481676
Molecular FormulaC12H13ClF3N5O
Molecular Weight335.72 g/mol
Exact Mass335.08
IUPAC Name4-chloro-N-[(1-ethylpyrazol-3-yl)methyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCCn1ccc(CNC(=O)c2c(Cl)c(C(F)(F)F)nn2C)n1
InChIInChI=1S/C12H13ClF3N5O/c1-3-21-5-4-7(18-21)6-17-11(22)9-8(13)10(12(14,15)16)19-20(9)2/h4-5H,3,6H2,1-2H3,(H,17,22)
InChIKeyGHGSPIFCIKSRPM-UHFFFAOYSA-N
XLogP2.24
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.72
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-chloro-N-[(1-ethylpyrazol-3-yl)methyl]-1-methyl-3-(trifluoromethyl)pyrazole-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

N-[(4-tert-butylphenyl)methyl]-4-chloro-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 24865554
4-chloro-1-methyl-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 4772994
4-chloro-N-(2-hydroxyethyl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19481557
2-chloro-N-[(1-ethylpyrazol-3-yl)methyl]benzamide
CID 19331013
4-chloro-1-ethyl-N-[(1-ethylpyrazol-3-yl)methyl]pyrazole-3-carboxamide
CID 19263433
N-[(1-ethylpyrazol-3-yl)methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 19508279
4-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19481636
4-chloro-1-methyl-N-[3-(4-methylpyrazol-1-yl)propyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19328080
4-chloro-1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl chloride
CID 14836867
N-[(1-ethylpyrazol-3-yl)methyl]-2-methylbenzamide
CID 4865656
N-[(1-ethylpyrazol-3-yl)methyl]-2-[3-(trifluoromethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-1-yl]acetamide
CID 19523775
4-chloro-1-methyl-N-[4-[(1-methylpyrazole-3-carbonyl)amino]phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19481723

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(1-ethylpyrazol-3-yl)methyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of 4-chloro-N-[(1-ethylpyrazol-3-yl)methyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 19481676) is 4-chloro-N-[(1-ethylpyrazol-3-yl)methyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-N-[(1-ethylpyrazol-3-yl)methyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-N-[(1-ethylpyrazol-3-yl)methyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide is CCn1ccc(CNC(=O)c2c(Cl)c(C(F)(F)F)nn2C)n1.
What is the InChIKey of 4-chloro-N-[(1-ethylpyrazol-3-yl)methyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is GHGSPIFCIKSRPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClF3N5O/c1-3-21-5-4-7(18-21)6-17-11(22)9-8(13)10(12(14,15)16)19-20(9)2/h4-5H,3,6H2,1-2H3,(H,17,22).
What are the key properties of 4-chloro-N-[(1-ethylpyrazol-3-yl)methyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
4-chloro-N-[(1-ethylpyrazol-3-yl)methyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 335.72 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(1-ethylpyrazol-3-yl)methyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 19481676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).