4-chloro-1-methyl-N-[3-(2-oxo-1-pyridinyl)propyl]-3-(trifluoromethyl)pyrazole-5-carboxamide

C14H14ClF3N4O2 — CID 119075123

IUPAC4-chloro-1-methyl-N-[3-(2-oxo-1-pyridinyl)propyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCn1nc(C(F)(F)F)c(Cl)c1C(=O)NCCCn1ccccc1=O
InChIInChI=1S/C14H14ClF3N4O2/c1-21-11(10(15)12(20-21)14(16,17)18)13(24)19-6-4-8-22-7-3-2-5-9(22)23/h2-3,5,7H,4,6,8H2,1H3,(H,19,24)
InChIKeySTZCWEIGAADXFP-UHFFFAOYSA-N
MW362.74 g/mol
LogP2.07
Rot. Bonds5

About 4-chloro-1-methyl-N-[3-(2-oxo-1-pyridinyl)propyl]-3-(trifluoromethyl)pyrazole-5-carboxamide

4-chloro-1-methyl-N-[3-(2-oxo-1-pyridinyl)propyl]-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 119075123) has the molecular formula C14H14ClF3N4O2 and a molecular weight of 362.74 g/mol. Its IUPAC name is 4-chloro-1-methyl-N-[3-(2-oxo-1-pyridinyl)propyl]-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-1-methyl-N-[3-(2-oxo-1-pyridinyl)propyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID119075123
Molecular FormulaC14H14ClF3N4O2
Molecular Weight362.74 g/mol
Exact Mass362.08
IUPAC Name4-chloro-1-methyl-N-[3-(2-oxo-1-pyridinyl)propyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCn1nc(C(F)(F)F)c(Cl)c1C(=O)NCCCn1ccccc1=O
InChIInChI=1S/C14H14ClF3N4O2/c1-21-11(10(15)12(20-21)14(16,17)18)13(24)19-6-4-8-22-7-3-2-5-9(22)23/h2-3,5,7H,4,6,8H2,1H3,(H,19,24)
InChIKeySTZCWEIGAADXFP-UHFFFAOYSA-N
XLogP2.07
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.74
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-chloro-1-methyl-N-[3-(2-oxo-1-pyridinyl)propyl]-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-[3-(2-oxo-1-pyridinyl)propyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of 4-chloro-1-methyl-N-[3-(2-oxo-1-pyridinyl)propyl]-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 119075123) is 4-chloro-1-methyl-N-[3-(2-oxo-1-pyridinyl)propyl]-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-1-methyl-N-[3-(2-oxo-1-pyridinyl)propyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-1-methyl-N-[3-(2-oxo-1-pyridinyl)propyl]-3-(trifluoromethyl)pyrazole-5-carboxamide is Cn1nc(C(F)(F)F)c(Cl)c1C(=O)NCCCn1ccccc1=O.
What is the InChIKey of 4-chloro-1-methyl-N-[3-(2-oxo-1-pyridinyl)propyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is STZCWEIGAADXFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClF3N4O2/c1-21-11(10(15)12(20-21)14(16,17)18)13(24)19-6-4-8-22-7-3-2-5-9(22)23/h2-3,5,7H,4,6,8H2,1H3,(H,19,24).
What are the key properties of 4-chloro-1-methyl-N-[3-(2-oxo-1-pyridinyl)propyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
4-chloro-1-methyl-N-[3-(2-oxo-1-pyridinyl)propyl]-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 362.74 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-methyl-N-[3-(2-oxo-1-pyridinyl)propyl]-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 119075123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).