N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-2-phenylacetamide

C17H14ClN3O — CID 11056043

IUPACN-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nc1cc(-c2ccc(Cl)cc2)[nH]n1
InChIInChI=1S/C17H14ClN3O/c18-14-8-6-13(7-9-14)15-11-16(21-20-15)19-17(22)10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H2,19,20,21,22)
InChIKeyYNRZQOBDEJVEFW-UHFFFAOYSA-N
MW311.77 g/mol
LogP3.91
Rot. Bonds4

About N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-2-phenylacetamide

N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-2-phenylacetamide (PubChem CID 11056043) has the molecular formula C17H14ClN3O and a molecular weight of 311.77 g/mol. Its IUPAC name is N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-2-phenylacetamide
PubChem CID11056043
Molecular FormulaC17H14ClN3O
Molecular Weight311.77 g/mol
Exact Mass311.08
IUPAC NameN-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nc1cc(-c2ccc(Cl)cc2)[nH]n1
InChIInChI=1S/C17H14ClN3O/c18-14-8-6-13(7-9-14)15-11-16(21-20-15)19-17(22)10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H2,19,20,21,22)
InChIKeyYNRZQOBDEJVEFW-UHFFFAOYSA-N
XLogP3.91
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N1-(3-phenyl-1H-pyrazol-5-yl)-4-chlorobenzamide
CID 339736
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-fluoro-2-phenylacetamide
CID 5330942
4-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)benzamide
CID 5330974
3-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)benzamide
CID 5330979
2-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)benzamide
CID 5330983
3,4-dichloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)benzamide
CID 5330986
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-phenylacetamide
CID 5330998
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-phenylphenyl)acetamide
CID 5331003
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(3-fluorophenyl)phenyl]acetamide
CID 5331004
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(3-methylphenyl)phenyl]acetamide
CID 5331005
N-(6-chloro-1H-indazol-3-yl)butyramide
CID 10421683
N-(6-chloro-5-phenyl-1H-indazol-3-yl)butanamide
CID 22319604

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-2-phenylacetamide?
The IUPAC name of N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-2-phenylacetamide (CID 11056043) is N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-2-phenylacetamide.
What is the SMILES notation for N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-2-phenylacetamide?
The canonical SMILES for N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-2-phenylacetamide is O=C(Cc1ccccc1)Nc1cc(-c2ccc(Cl)cc2)[nH]n1.
What is the InChIKey of N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-2-phenylacetamide?
The InChIKey is YNRZQOBDEJVEFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O/c18-14-8-6-13(7-9-14)15-11-16(21-20-15)19-17(22)10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H2,19,20,21,22).
What are the key properties of N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-2-phenylacetamide?
N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-2-phenylacetamide has a molecular weight of 311.77 g/mol, XLogP of 3.91, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-2-phenylacetamide is sourced from PubChem (CID 11056043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).