N-[4-(1H-pyrazole-5-carbonyl)phenyl]acetamide

C12H11N3O2 — CID 114990663

IUPACN-[4-(1H-pyrazole-5-carbonyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)c2ccn[nH]2)cc1
InChIInChI=1S/C12H11N3O2/c1-8(16)14-10-4-2-9(3-5-10)12(17)11-6-7-13-15-11/h2-7H,1H3,(H,13,15)(H,14,16)
InChIKeyHXENHOPMWKOQOO-UHFFFAOYSA-N
MW229.24 g/mol
LogP1.60
Rot. Bonds3

About N-[4-(1H-pyrazole-5-carbonyl)phenyl]acetamide

N-[4-(1H-pyrazole-5-carbonyl)phenyl]acetamide (PubChem CID 114990663) has the molecular formula C12H11N3O2 and a molecular weight of 229.24 g/mol. Its IUPAC name is N-[4-(1H-pyrazole-5-carbonyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(1H-pyrazole-5-carbonyl)phenyl]acetamide
PubChem CID114990663
Molecular FormulaC12H11N3O2
Molecular Weight229.24 g/mol
Exact Mass229.09
IUPAC NameN-[4-(1H-pyrazole-5-carbonyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)c2ccn[nH]2)cc1
InChIInChI=1S/C12H11N3O2/c1-8(16)14-10-4-2-9(3-5-10)12(17)11-6-7-13-15-11/h2-7H,1H3,(H,13,15)(H,14,16)
InChIKeyHXENHOPMWKOQOO-UHFFFAOYSA-N
XLogP1.60
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chlorophenyl)-(1H-pyrazol-5-yl)methanone
CID 15880397
N-(4-carbamoylphenyl)-1H-pyrazole-5-carboxamide
CID 19614759
N-(4-hydroxyphenyl)-1H-pyrazole-5-carboxamide
CID 63078720
N-[4-(4-hydroxybenzoyl)phenyl]acetamide
CID 91710939
N-[4-(4-iodobenzoyl)phenyl]acetamide
CID 43337938
N-phenyl-1H-pyrazole-5-carboxamide
CID 680935
N-(4-acetylphenyl)-2-(1H-pyrazol-5-yl)acetamide
CID 84575732
4-acetamidobenzoyl chloride
CID 7010341
N-(4-acetylphenyl)acetamide;fluoromethane
CID 160517938
4-acetamidobenzenecarbothioic S-acid
CID 86154982
N-[4-(3-bromobenzoyl)phenyl]acetamide
CID 43337929
N-[4-(3,5-difluorobenzoyl)phenyl]acetamide
CID 43337955

Frequently Asked Questions

What is the IUPAC name of N-[4-(1H-pyrazole-5-carbonyl)phenyl]acetamide?
The IUPAC name of N-[4-(1H-pyrazole-5-carbonyl)phenyl]acetamide (CID 114990663) is N-[4-(1H-pyrazole-5-carbonyl)phenyl]acetamide.
What is the SMILES notation for N-[4-(1H-pyrazole-5-carbonyl)phenyl]acetamide?
The canonical SMILES for N-[4-(1H-pyrazole-5-carbonyl)phenyl]acetamide is CC(=O)Nc1ccc(C(=O)c2ccn[nH]2)cc1.
What is the InChIKey of N-[4-(1H-pyrazole-5-carbonyl)phenyl]acetamide?
The InChIKey is HXENHOPMWKOQOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2/c1-8(16)14-10-4-2-9(3-5-10)12(17)11-6-7-13-15-11/h2-7H,1H3,(H,13,15)(H,14,16).
What are the key properties of N-[4-(1H-pyrazole-5-carbonyl)phenyl]acetamide?
N-[4-(1H-pyrazole-5-carbonyl)phenyl]acetamide has a molecular weight of 229.24 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1H-pyrazole-5-carbonyl)phenyl]acetamide is sourced from PubChem (CID 114990663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).