3-chloro-N-methyl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide

C7H7ClF3N3O — CID 170255025

IUPAC3-chloro-N-methyl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
SMILESCNC(=O)c1cn(CC(F)(F)F)nc1Cl
InChIInChI=1S/C7H7ClF3N3O/c1-12-6(15)4-2-14(13-5(4)8)3-7(9,10)11/h2H,3H2,1H3,(H,12,15)
InChIKeyLRDNLNZSPCMIBH-UHFFFAOYSA-N
MW241.60 g/mol
LogP1.46
Rot. Bonds2

About 3-chloro-N-methyl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide

3-chloro-N-methyl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide (PubChem CID 170255025) has the molecular formula C7H7ClF3N3O and a molecular weight of 241.60 g/mol. Its IUPAC name is 3-chloro-N-methyl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-chloro-N-methyl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
PubChem CID170255025
Molecular FormulaC7H7ClF3N3O
Molecular Weight241.60 g/mol
Exact Mass241.02
IUPAC Name3-chloro-N-methyl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
SMILESCNC(=O)c1cn(CC(F)(F)F)nc1Cl
InChIInChI=1S/C7H7ClF3N3O/c1-12-6(15)4-2-14(13-5(4)8)3-7(9,10)11/h2H,3H2,1H3,(H,12,15)
InChIKeyLRDNLNZSPCMIBH-UHFFFAOYSA-N
XLogP1.46
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.60
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-methyl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
CID 146680574
3-chloro-1-ethyl-N-methylpyrazole-4-carboxamide
CID 170256746
3-amino-N-butan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
CID 146680579
3-amino-N-butyl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
CID 146680580
methyl 4-amino-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxylate;hydrochloride
CID 146155798
3-amino-N-ethyl-N-methyl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
CID 146680585
methyl 1-(2,2,2-trifluoroethyl)-1,2,4-triazole-3-carboxylate
CID 78955676
3-chloro-N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]-1-(2-fluoro-2-methylpropyl)pyrazole-4-carboxamide
CID 167141708
N-[1-(4-methoxyphenyl)cyclopropyl]-3-methyl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
CID 139007597
4-amino-N-methyl-1-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide
CID 70114528
3-butyl-4-chloro-1-(2,2,2-trifluoroethyl)pyrazole
CID 174774861
3-cyclopropyl-4-ethyl-1-(2,2,2-trifluoroethyl)pyrazole
CID 162615531

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-methyl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide?
The IUPAC name of 3-chloro-N-methyl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide (CID 170255025) is 3-chloro-N-methyl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 3-chloro-N-methyl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide?
The canonical SMILES for 3-chloro-N-methyl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide is CNC(=O)c1cn(CC(F)(F)F)nc1Cl.
What is the InChIKey of 3-chloro-N-methyl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide?
The InChIKey is LRDNLNZSPCMIBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClF3N3O/c1-12-6(15)4-2-14(13-5(4)8)3-7(9,10)11/h2H,3H2,1H3,(H,12,15).
What are the key properties of 3-chloro-N-methyl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide?
3-chloro-N-methyl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide has a molecular weight of 241.60 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-methyl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 170255025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).