N-(2-chloro-4-fluorophenyl)-4-methyl-1H-pyrazole-5-carboxamide

C11H9ClFN3O — CID 86232761

IUPACN-(2-chloro-4-fluorophenyl)-4-methyl-1H-pyrazole-5-carboxamide
SMILESCc1cn[nH]c1C(=O)Nc1ccc(F)cc1Cl
InChIInChI=1S/C11H9ClFN3O/c1-6-5-14-16-10(6)11(17)15-9-3-2-7(13)4-8(9)12/h2-5H,1H3,(H,14,16)(H,15,17)
InChIKeyJSDHRGANTOLRGS-UHFFFAOYSA-N
MW253.66 g/mol
LogP2.76
Rot. Bonds2

About N-(2-chloro-4-fluorophenyl)-4-methyl-1H-pyrazole-5-carboxamide

N-(2-chloro-4-fluorophenyl)-4-methyl-1H-pyrazole-5-carboxamide (PubChem CID 86232761) has the molecular formula C11H9ClFN3O and a molecular weight of 253.66 g/mol. Its IUPAC name is N-(2-chloro-4-fluorophenyl)-4-methyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4-fluorophenyl)-4-methyl-1H-pyrazole-5-carboxamide
PubChem CID86232761
Molecular FormulaC11H9ClFN3O
Molecular Weight253.66 g/mol
Exact Mass253.04
IUPAC NameN-(2-chloro-4-fluorophenyl)-4-methyl-1H-pyrazole-5-carboxamide
SMILESCc1cn[nH]c1C(=O)Nc1ccc(F)cc1Cl
InChIInChI=1S/C11H9ClFN3O/c1-6-5-14-16-10(6)11(17)15-9-3-2-7(13)4-8(9)12/h2-5H,1H3,(H,14,16)(H,15,17)
InChIKeyJSDHRGANTOLRGS-UHFFFAOYSA-N
XLogP2.76
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.66
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-fluorophenyl)-4-methyl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(2-chloro-4-fluorophenyl)-4-methyl-1H-pyrazole-5-carboxamide (CID 86232761) is N-(2-chloro-4-fluorophenyl)-4-methyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(2-chloro-4-fluorophenyl)-4-methyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(2-chloro-4-fluorophenyl)-4-methyl-1H-pyrazole-5-carboxamide is Cc1cn[nH]c1C(=O)Nc1ccc(F)cc1Cl.
What is the InChIKey of N-(2-chloro-4-fluorophenyl)-4-methyl-1H-pyrazole-5-carboxamide?
The InChIKey is JSDHRGANTOLRGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFN3O/c1-6-5-14-16-10(6)11(17)15-9-3-2-7(13)4-8(9)12/h2-5H,1H3,(H,14,16)(H,15,17).
What are the key properties of N-(2-chloro-4-fluorophenyl)-4-methyl-1H-pyrazole-5-carboxamide?
N-(2-chloro-4-fluorophenyl)-4-methyl-1H-pyrazole-5-carboxamide has a molecular weight of 253.66 g/mol, XLogP of 2.76, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-fluorophenyl)-4-methyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 86232761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).