3-(2-chlorophenyl)-1H-pyrazole-5-carboxamide

C10H8ClN3O — CID 47170036

IUPAC3-(2-chlorophenyl)-1H-pyrazole-5-carboxamide
SMILESNC(=O)c1cc(-c2ccccc2Cl)n[nH]1
InChIInChI=1S/C10H8ClN3O/c11-7-4-2-1-3-6(7)8-5-9(10(12)15)14-13-8/h1-5H,(H2,12,15)(H,13,14)
InChIKeySOHQOPJBCOZHKH-UHFFFAOYSA-N
MW221.65 g/mol
LogP1.83
Rot. Bonds2

About 3-(2-chlorophenyl)-1H-pyrazole-5-carboxamide

3-(2-chlorophenyl)-1H-pyrazole-5-carboxamide (PubChem CID 47170036) has the molecular formula C10H8ClN3O and a molecular weight of 221.65 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-1H-pyrazole-5-carboxamide
PubChem CID47170036
Molecular FormulaC10H8ClN3O
Molecular Weight221.65 g/mol
Exact Mass221.04
IUPAC Name3-(2-chlorophenyl)-1H-pyrazole-5-carboxamide
SMILESNC(=O)c1cc(-c2ccccc2Cl)n[nH]1
InChIInChI=1S/C10H8ClN3O/c11-7-4-2-1-3-6(7)8-5-9(10(12)15)14-13-8/h1-5H,(H2,12,15)(H,13,14)
InChIKeySOHQOPJBCOZHKH-UHFFFAOYSA-N
XLogP1.83
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.65
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(2-chlorophenyl)-1H-pyrazole-5-carboxamide (CID 47170036) is 3-(2-chlorophenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(2-chlorophenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(2-chlorophenyl)-1H-pyrazole-5-carboxamide is NC(=O)c1cc(-c2ccccc2Cl)n[nH]1.
What is the InChIKey of 3-(2-chlorophenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is SOHQOPJBCOZHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3O/c11-7-4-2-1-3-6(7)8-5-9(10(12)15)14-13-8/h1-5H,(H2,12,15)(H,13,14).
What are the key properties of 3-(2-chlorophenyl)-1H-pyrazole-5-carboxamide?
3-(2-chlorophenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 221.65 g/mol, XLogP of 1.83, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 47170036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).