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

C10H8ClN3O — CID 668390

IUPACN-(2-chlorophenyl)-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1ccccc1Cl)c1ccn[nH]1
InChIInChI=1S/C10H8ClN3O/c11-7-3-1-2-4-8(7)13-10(15)9-5-6-12-14-9/h1-6H,(H,12,14)(H,13,15)
InChIKeyXGZGGDFTPYYPMV-UHFFFAOYSA-N
MW221.65 g/mol
LogP2.32
Rot. Bonds2

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

N-(2-chlorophenyl)-1H-pyrazole-5-carboxamide (PubChem CID 668390) has the molecular formula C10H8ClN3O and a molecular weight of 221.65 g/mol. Its IUPAC name is N-(2-chlorophenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-1H-pyrazole-5-carboxamide
PubChem CID668390
Molecular FormulaC10H8ClN3O
Molecular Weight221.65 g/mol
Exact Mass221.04
IUPAC NameN-(2-chlorophenyl)-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1ccccc1Cl)c1ccn[nH]1
InChIInChI=1S/C10H8ClN3O/c11-7-3-1-2-4-8(7)13-10(15)9-5-6-12-14-9/h1-6H,(H,12,14)(H,13,15)
InChIKeyXGZGGDFTPYYPMV-UHFFFAOYSA-N
XLogP2.32
TPSA57.78 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 ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-1H-pyrazole-5-carboxamide (CID 668390) is N-(2-chlorophenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-1H-pyrazole-5-carboxamide is O=C(Nc1ccccc1Cl)c1ccn[nH]1.
What is the InChIKey of N-(2-chlorophenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is XGZGGDFTPYYPMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3O/c11-7-3-1-2-4-8(7)13-10(15)9-5-6-12-14-9/h1-6H,(H,12,14)(H,13,15).
What are the key properties of N-(2-chlorophenyl)-1H-pyrazole-5-carboxamide?
N-(2-chlorophenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 221.65 g/mol, XLogP of 2.32, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 668390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).