4-chloro-1-methyl-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)pyrazole-5-carboxamide

C11H9ClF3N3OS — CID 4772994

IUPAC4-chloro-1-methyl-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCn1nc(C(F)(F)F)c(Cl)c1C(=O)NCc1cccs1
InChIInChI=1S/C11H9ClF3N3OS/c1-18-8(7(12)9(17-18)11(13,14)15)10(19)16-5-6-3-2-4-20-6/h2-4H,5H2,1H3,(H,16,19)
InChIKeyBZQMUBSIIGJUGN-UHFFFAOYSA-N
MW323.73 g/mol
LogP3.08
Rot. Bonds3

About 4-chloro-1-methyl-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)pyrazole-5-carboxamide

4-chloro-1-methyl-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 4772994) has the molecular formula C11H9ClF3N3OS and a molecular weight of 323.73 g/mol. Its IUPAC name is 4-chloro-1-methyl-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-1-methyl-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID4772994
Molecular FormulaC11H9ClF3N3OS
Molecular Weight323.73 g/mol
Exact Mass323.01
IUPAC Name4-chloro-1-methyl-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCn1nc(C(F)(F)F)c(Cl)c1C(=O)NCc1cccs1
InChIInChI=1S/C11H9ClF3N3OS/c1-18-8(7(12)9(17-18)11(13,14)15)10(19)16-5-6-3-2-4-20-6/h2-4H,5H2,1H3,(H,16,19)
InChIKeyBZQMUBSIIGJUGN-UHFFFAOYSA-N
XLogP3.08
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.73
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[(1-ethylpyrazol-3-yl)methyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19481676
4-chloro-N-(2-hydroxyethyl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19481557
4-chloro-1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl chloride
CID 14836867
N-(5-bromo-2-pyridinyl)-4-chloro-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 4771991
4-chloro-N-(3-hydroxyphenyl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19506719
4-chloro-1-methyl-N-[3-(4-methylpyrazol-1-yl)propyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19328080
4-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19481636
3-(4-fluorophenyl)-1-methyl-N-(thiophen-2-ylmethyl)pyrazole-5-carboxamide
CID 121083917
4-chloro-1-methyl-N-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19481523
4-chloro-1-methyl-N-[4-[(1-methylpyrazole-3-carbonyl)amino]phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19481723
4,5-dichloro-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
CID 110186920
4-chloro-3-ethyl-1-methyl-N-[[4-[4-(trifluoromethyl)phenoxy]phenyl]methyl]pyrazole-5-carboxamide
CID 15008416

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-methyl-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of 4-chloro-1-methyl-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 4772994) is 4-chloro-1-methyl-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-1-methyl-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-1-methyl-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)pyrazole-5-carboxamide is Cn1nc(C(F)(F)F)c(Cl)c1C(=O)NCc1cccs1.
What is the InChIKey of 4-chloro-1-methyl-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is BZQMUBSIIGJUGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClF3N3OS/c1-18-8(7(12)9(17-18)11(13,14)15)10(19)16-5-6-3-2-4-20-6/h2-4H,5H2,1H3,(H,16,19).
What are the key properties of 4-chloro-1-methyl-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)pyrazole-5-carboxamide?
4-chloro-1-methyl-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 323.73 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-methyl-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 4772994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).