N-[(4-pyrazol-1-ylphenyl)methyl]acetamide

C12H13N3O — CID 47203824

IUPACN-[(4-pyrazol-1-ylphenyl)methyl]acetamide
SMILESCC(=O)NCc1ccc(-n2cccn2)cc1
InChIInChI=1S/C12H13N3O/c1-10(16)13-9-11-3-5-12(6-4-11)15-8-2-7-14-15/h2-8H,9H2,1H3,(H,13,16)
InChIKeyMYJROBKMPZZHAC-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.51
Rot. Bonds3

About N-[(4-pyrazol-1-ylphenyl)methyl]acetamide

N-[(4-pyrazol-1-ylphenyl)methyl]acetamide (PubChem CID 47203824) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is N-[(4-pyrazol-1-ylphenyl)methyl]acetamide.

Molecular Properties

Compound NameN-[(4-pyrazol-1-ylphenyl)methyl]acetamide
PubChem CID47203824
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC NameN-[(4-pyrazol-1-ylphenyl)methyl]acetamide
SMILESCC(=O)NCc1ccc(-n2cccn2)cc1
InChIInChI=1S/C12H13N3O/c1-10(16)13-9-11-3-5-12(6-4-11)15-8-2-7-14-15/h2-8H,9H2,1H3,(H,13,16)
InChIKeyMYJROBKMPZZHAC-UHFFFAOYSA-N
XLogP1.51
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1H-Pyrazole-4-acetamide, 3,5-dimethyl-1-phenyl-N-(phenylmethyl)-
CID 3079322
Acetamide, N-(1-phenylpyrazol-4-yl)-
CID 200720
4-(1H-pyrazol-1-ylmethyl)aniline
CID 2764412
1-[2-(1H-pyrazol-1-yl)phenyl]methanamine
CID 7015036
methyl((1-phenyl-1H-pyrazol-4-yl)methyl)amine
CID 7131170
N-{4-[(3-methyl-1H-pyrazol-1-yl)carbonyl]phenyl}acetamide
CID 833517
N-[2-(hydroxyamino)-2-oxo-1-(4-pyrazol-1-ylphenyl)ethyl]-2,2-dimethylpropanamide
CID 101874839
N-[2-(hydroxyamino)-2-oxo-1-(4-pyrazol-1-ylphenyl)ethyl]acetamide
CID 118723775
N-[2-(hydroxyamino)-2-oxo-1-(4-pyrazol-1-ylphenyl)ethyl]propanamide
CID 118723776
N-[2-(hydroxyamino)-2-oxo-1-(4-pyrazol-1-ylphenyl)ethyl]-2-methyl-propanamide
CID 118723777
N-{4-[(3-methyl-1H-pyrazol-1-yl)carbonyl]phenyl}butanamide
CID 833520
N-[4-(3-methylpyrazole-1-carbonyl)phenyl]cyclopropanecarboxamide
CID 833522

Frequently Asked Questions

What is the IUPAC name of N-[(4-pyrazol-1-ylphenyl)methyl]acetamide?
The IUPAC name of N-[(4-pyrazol-1-ylphenyl)methyl]acetamide (CID 47203824) is N-[(4-pyrazol-1-ylphenyl)methyl]acetamide.
What is the SMILES notation for N-[(4-pyrazol-1-ylphenyl)methyl]acetamide?
The canonical SMILES for N-[(4-pyrazol-1-ylphenyl)methyl]acetamide is CC(=O)NCc1ccc(-n2cccn2)cc1.
What is the InChIKey of N-[(4-pyrazol-1-ylphenyl)methyl]acetamide?
The InChIKey is MYJROBKMPZZHAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-10(16)13-9-11-3-5-12(6-4-11)15-8-2-7-14-15/h2-8H,9H2,1H3,(H,13,16).
What are the key properties of N-[(4-pyrazol-1-ylphenyl)methyl]acetamide?
N-[(4-pyrazol-1-ylphenyl)methyl]acetamide has a molecular weight of 215.26 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-pyrazol-1-ylphenyl)methyl]acetamide is sourced from PubChem (CID 47203824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).