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

C10H12ClF3N4O — CID 74249066

IUPAC4-chloro-1-methyl-N-[(3R)-pyrrolidin-3-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCn1nc(C(F)(F)F)c(Cl)c1C(=O)N[C@@H]1CCNC1
InChIInChI=1S/C10H12ClF3N4O/c1-18-7(6(11)8(17-18)10(12,13)14)9(19)16-5-2-3-15-4-5/h5,15H,2-4H2,1H3,(H,16,19)/t5-/m1/s1
InChIKeyZERQEPUJZLWWCY-RXMQYKEDSA-N
MW296.68 g/mol
LogP1.18
Rot. Bonds2

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

4-chloro-1-methyl-N-[(3R)-pyrrolidin-3-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 74249066) has the molecular formula C10H12ClF3N4O and a molecular weight of 296.68 g/mol. Its IUPAC name is 4-chloro-1-methyl-N-[(3R)-pyrrolidin-3-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-1-methyl-N-[(3R)-pyrrolidin-3-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID74249066
Molecular FormulaC10H12ClF3N4O
Molecular Weight296.68 g/mol
Exact Mass296.07
IUPAC Name4-chloro-1-methyl-N-[(3R)-pyrrolidin-3-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCn1nc(C(F)(F)F)c(Cl)c1C(=O)N[C@@H]1CCNC1
InChIInChI=1S/C10H12ClF3N4O/c1-18-7(6(11)8(17-18)10(12,13)14)9(19)16-5-2-3-15-4-5/h5,15H,2-4H2,1H3,(H,16,19)/t5-/m1/s1
InChIKeyZERQEPUJZLWWCY-RXMQYKEDSA-N
XLogP1.18
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.68
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-chloro-1-methyl-N-[(3R)-pyrrolidin-3-yl]-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

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-methyl-N-[(3R)-pyrrolidin-3-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of 4-chloro-1-methyl-N-[(3R)-pyrrolidin-3-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 74249066) is 4-chloro-1-methyl-N-[(3R)-pyrrolidin-3-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-1-methyl-N-[(3R)-pyrrolidin-3-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-1-methyl-N-[(3R)-pyrrolidin-3-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide is Cn1nc(C(F)(F)F)c(Cl)c1C(=O)N[C@@H]1CCNC1.
What is the InChIKey of 4-chloro-1-methyl-N-[(3R)-pyrrolidin-3-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is ZERQEPUJZLWWCY-RXMQYKEDSA-N. The full InChI is InChI=1S/C10H12ClF3N4O/c1-18-7(6(11)8(17-18)10(12,13)14)9(19)16-5-2-3-15-4-5/h5,15H,2-4H2,1H3,(H,16,19)/t5-/m1/s1.
What are the key properties of 4-chloro-1-methyl-N-[(3R)-pyrrolidin-3-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
4-chloro-1-methyl-N-[(3R)-pyrrolidin-3-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 296.68 g/mol, XLogP of 1.18, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-methyl-N-[(3R)-pyrrolidin-3-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 74249066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).