2-amino-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide

C12H14N4O — CID 43697313

IUPAC2-amino-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
SMILESNCC(=O)Nc1cccc(Cn2cccn2)c1
InChIInChI=1S/C12H14N4O/c13-8-12(17)15-11-4-1-3-10(7-11)9-16-6-2-5-14-16/h1-7H,8-9,13H2,(H,15,17)
InChIKeyBZIZFXPKXVIWEW-UHFFFAOYSA-N
MW230.27 g/mol
LogP0.83
Rot. Bonds4

About 2-amino-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide

2-amino-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide (PubChem CID 43697313) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 2-amino-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
PubChem CID43697313
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name2-amino-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
SMILESNCC(=O)Nc1cccc(Cn2cccn2)c1
InChIInChI=1S/C12H14N4O/c13-8-12(17)15-11-4-1-3-10(7-11)9-16-6-2-5-14-16/h1-7H,8-9,13H2,(H,15,17)
InChIKeyBZIZFXPKXVIWEW-UHFFFAOYSA-N
XLogP0.83
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-ethoxyphenoxy)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 39694973
2-amino-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 43697329
2-(2-methoxyethylamino)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 79272205
2-(2-methoxyphenyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 39695127
2-(4-ethoxyphenyl)sulfanyl-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 55610898
2,2,2-trifluoroethyl N-[2-oxo-2-[3-(pyrazol-1-ylmethyl)anilino]ethyl]carbamate
CID 87023108
2-methyl-2-(methylamino)-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 62836036
(2S)-2-amino-3-methyl-N-[3-(pyrazol-1-ylmethyl)phenyl]pentanamide
CID 61172469
3-(4-bromopyrazol-1-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 19561765
2-(5-methyl-1H-pyrazol-3-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 71922145
2-(4-oxo-3H-phthalazin-1-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 46423982
1-[3-oxo-3-[3-(pyrazol-1-ylmethyl)anilino]propyl]pyrazole-4-carboxylic acid
CID 19483026

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide?
The IUPAC name of 2-amino-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide (CID 43697313) is 2-amino-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide.
What is the SMILES notation for 2-amino-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide?
The canonical SMILES for 2-amino-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide is NCC(=O)Nc1cccc(Cn2cccn2)c1.
What is the InChIKey of 2-amino-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide?
The InChIKey is BZIZFXPKXVIWEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c13-8-12(17)15-11-4-1-3-10(7-11)9-16-6-2-5-14-16/h1-7H,8-9,13H2,(H,15,17).
What are the key properties of 2-amino-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide?
2-amino-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide has a molecular weight of 230.27 g/mol, XLogP of 0.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide is sourced from PubChem (CID 43697313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).