N-[2-(2-chloro-6-fluorophenyl)-5-methylpyrazol-3-yl]-2H-pyrimidine-1-carboxamide

C15H13ClFN5O — CID 140574570

IUPACN-[2-(2-chloro-6-fluorophenyl)-5-methylpyrazol-3-yl]-2H-pyrimidine-1-carboxamide
SMILESCc1cc(NC(=O)N2C=CC=NC2)n(-c2c(F)cccc2Cl)n1
InChIInChI=1S/C15H13ClFN5O/c1-10-8-13(19-15(23)21-7-3-6-18-9-21)22(20-10)14-11(16)4-2-5-12(14)17/h2-8H,9H2,1H3,(H,19,23)
InChIKeyPLSZUJXXRAHTCE-UHFFFAOYSA-N
MW333.75 g/mol
LogP3.36
Rot. Bonds2

About N-[2-(2-chloro-6-fluorophenyl)-5-methylpyrazol-3-yl]-2H-pyrimidine-1-carboxamide

N-[2-(2-chloro-6-fluorophenyl)-5-methylpyrazol-3-yl]-2H-pyrimidine-1-carboxamide (PubChem CID 140574570) has the molecular formula C15H13ClFN5O and a molecular weight of 333.75 g/mol. Its IUPAC name is N-[2-(2-chloro-6-fluorophenyl)-5-methylpyrazol-3-yl]-2H-pyrimidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(2-chloro-6-fluorophenyl)-5-methylpyrazol-3-yl]-2H-pyrimidine-1-carboxamide
PubChem CID140574570
Molecular FormulaC15H13ClFN5O
Molecular Weight333.75 g/mol
Exact Mass333.08
IUPAC NameN-[2-(2-chloro-6-fluorophenyl)-5-methylpyrazol-3-yl]-2H-pyrimidine-1-carboxamide
SMILESCc1cc(NC(=O)N2C=CC=NC2)n(-c2c(F)cccc2Cl)n1
InChIInChI=1S/C15H13ClFN5O/c1-10-8-13(19-15(23)21-7-3-6-18-9-21)22(20-10)14-11(16)4-2-5-12(14)17/h2-8H,9H2,1H3,(H,19,23)
InChIKeyPLSZUJXXRAHTCE-UHFFFAOYSA-N
XLogP3.36
TPSA62.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.75
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(2-chloro-6-fluorophenyl)-5-methylpyrazol-3-yl]-2H-pyrimidine-1-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 N-[2-(2-chloro-6-fluorophenyl)-5-methylpyrazol-3-yl]-2H-pyrimidine-1-carboxamide?
The IUPAC name of N-[2-(2-chloro-6-fluorophenyl)-5-methylpyrazol-3-yl]-2H-pyrimidine-1-carboxamide (CID 140574570) is N-[2-(2-chloro-6-fluorophenyl)-5-methylpyrazol-3-yl]-2H-pyrimidine-1-carboxamide.
What is the SMILES notation for N-[2-(2-chloro-6-fluorophenyl)-5-methylpyrazol-3-yl]-2H-pyrimidine-1-carboxamide?
The canonical SMILES for N-[2-(2-chloro-6-fluorophenyl)-5-methylpyrazol-3-yl]-2H-pyrimidine-1-carboxamide is Cc1cc(NC(=O)N2C=CC=NC2)n(-c2c(F)cccc2Cl)n1.
What is the InChIKey of N-[2-(2-chloro-6-fluorophenyl)-5-methylpyrazol-3-yl]-2H-pyrimidine-1-carboxamide?
The InChIKey is PLSZUJXXRAHTCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFN5O/c1-10-8-13(19-15(23)21-7-3-6-18-9-21)22(20-10)14-11(16)4-2-5-12(14)17/h2-8H,9H2,1H3,(H,19,23).
What are the key properties of N-[2-(2-chloro-6-fluorophenyl)-5-methylpyrazol-3-yl]-2H-pyrimidine-1-carboxamide?
N-[2-(2-chloro-6-fluorophenyl)-5-methylpyrazol-3-yl]-2H-pyrimidine-1-carboxamide has a molecular weight of 333.75 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloro-6-fluorophenyl)-5-methylpyrazol-3-yl]-2H-pyrimidine-1-carboxamide is sourced from PubChem (CID 140574570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).