3-phenyl-2-(1H-pyrazol-4-yl)propanamide

C12H13N3O — CID 91102712

IUPAC3-phenyl-2-(1H-pyrazol-4-yl)propanamide
SMILESNC(=O)C(Cc1ccccc1)c1cn[nH]c1
InChIInChI=1S/C12H13N3O/c13-12(16)11(10-7-14-15-8-10)6-9-4-2-1-3-5-9/h1-5,7-8,11H,6H2,(H2,13,16)(H,14,15)
InChIKeyLZGCEAWVWNLBQD-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.22
Rot. Bonds4

About 3-phenyl-2-(1H-pyrazol-4-yl)propanamide

3-phenyl-2-(1H-pyrazol-4-yl)propanamide (PubChem CID 91102712) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 3-phenyl-2-(1H-pyrazol-4-yl)propanamide.

Molecular Properties

Compound Name3-phenyl-2-(1H-pyrazol-4-yl)propanamide
PubChem CID91102712
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name3-phenyl-2-(1H-pyrazol-4-yl)propanamide
SMILESNC(=O)C(Cc1ccccc1)c1cn[nH]c1
InChIInChI=1S/C12H13N3O/c13-12(16)11(10-7-14-15-8-10)6-9-4-2-1-3-5-9/h1-5,7-8,11H,6H2,(H2,13,16)(H,14,15)
InChIKeyLZGCEAWVWNLBQD-UHFFFAOYSA-N
XLogP1.22
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-aminophenyl)-3-phenylpropanamide
CID 82020975
3-phenyl-2-(1H-pyrazol-4-yl)propanal
CID 174619368
2-(6-methyl-3-pyridinyl)-3-phenylpropanamide
CID 69080693
(2S)-2-amino-3-phenyl-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide
CID 106212809
2-phenyl-3-pyridin-3-ylpropanamide
CID 171502842
3-(2-chloro-4-fluorophenyl)-2-(1H-pyrazol-4-yl)propanamide
CID 90980328
N-methyl-2-phenyl-1-(1H-pyrazol-4-yl)ethanamine
CID 174738467
2-(6-cyano-3-pyridinyl)-3-phenylpropanamide
CID 154724655
3-methyl-4-phenyl-4-(1H-pyrazol-4-yl)butanamide
CID 90178209
3-(3-methylphenyl)-2-phenylpropanamide
CID 123295994
2-naphthalen-1-yl-3-phenylpropanamide
CID 141457606
(2R,3S)-3-amino-4-phenyl-1-[1-(1H-pyrazol-4-yl)propylamino]butan-2-ol
CID 66614400

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2-(1H-pyrazol-4-yl)propanamide?
The IUPAC name of 3-phenyl-2-(1H-pyrazol-4-yl)propanamide (CID 91102712) is 3-phenyl-2-(1H-pyrazol-4-yl)propanamide.
What is the SMILES notation for 3-phenyl-2-(1H-pyrazol-4-yl)propanamide?
The canonical SMILES for 3-phenyl-2-(1H-pyrazol-4-yl)propanamide is NC(=O)C(Cc1ccccc1)c1cn[nH]c1.
What is the InChIKey of 3-phenyl-2-(1H-pyrazol-4-yl)propanamide?
The InChIKey is LZGCEAWVWNLBQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c13-12(16)11(10-7-14-15-8-10)6-9-4-2-1-3-5-9/h1-5,7-8,11H,6H2,(H2,13,16)(H,14,15).
What are the key properties of 3-phenyl-2-(1H-pyrazol-4-yl)propanamide?
3-phenyl-2-(1H-pyrazol-4-yl)propanamide has a molecular weight of 215.26 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2-(1H-pyrazol-4-yl)propanamide is sourced from PubChem (CID 91102712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).