3-(4-methyl-3-phenylpyrazol-1-yl)propanamide

C13H15N3O — CID 154215861

IUPAC3-(4-methyl-3-phenylpyrazol-1-yl)propanamide
SMILESCc1cn(CCC(N)=O)nc1-c1ccccc1
InChIInChI=1S/C13H15N3O/c1-10-9-16(8-7-12(14)17)15-13(10)11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H2,14,17)
InChIKeyAFJQIADLUJXAAW-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.73
Rot. Bonds4

About 3-(4-methyl-3-phenylpyrazol-1-yl)propanamide

3-(4-methyl-3-phenylpyrazol-1-yl)propanamide (PubChem CID 154215861) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 3-(4-methyl-3-phenylpyrazol-1-yl)propanamide.

Molecular Properties

Compound Name3-(4-methyl-3-phenylpyrazol-1-yl)propanamide
PubChem CID154215861
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name3-(4-methyl-3-phenylpyrazol-1-yl)propanamide
SMILESCc1cn(CCC(N)=O)nc1-c1ccccc1
InChIInChI=1S/C13H15N3O/c1-10-9-16(8-7-12(14)17)15-13(10)11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H2,14,17)
InChIKeyAFJQIADLUJXAAW-UHFFFAOYSA-N
XLogP1.73
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-phenylpyrazol-1-yl)propanamide
CID 19835817
1-[2-(2-methylphenoxy)ethyl]-3-phenylpyrazole-4-carboxamide
CID 71879880
3-phenyl-1-propylpyrazole-4-carboxylic acid
CID 61266498
3-[4-[(E)-2-carboxyethenyl]-3-phenylpyrazol-1-yl]propanoic acid
CID 2389007
CID 175341780
CID 175341780
3-[4-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]-3-phenylpyrazol-1-yl]propanoic acid
CID 2389804
ethyl 1-methyl-3-phenylpyrazole-4-carboxylate
CID 14003898
1-[(2-methylphenyl)methyl]-3-phenylpyrazol-4-amine
CID 83222256
4-methyl-3-phenyl-1-propan-2-ylpyrazole
CID 123403415
3-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)propanamide
CID 51108219
4-(3-butyl-2,5-diphenylimidazol-4-yl)butanamide
CID 141076541
1-(2-cyanoethyl)-3-phenylpyrazole-4-carboxylic acid
CID 2333905

Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-3-phenylpyrazol-1-yl)propanamide?
The IUPAC name of 3-(4-methyl-3-phenylpyrazol-1-yl)propanamide (CID 154215861) is 3-(4-methyl-3-phenylpyrazol-1-yl)propanamide.
What is the SMILES notation for 3-(4-methyl-3-phenylpyrazol-1-yl)propanamide?
The canonical SMILES for 3-(4-methyl-3-phenylpyrazol-1-yl)propanamide is Cc1cn(CCC(N)=O)nc1-c1ccccc1.
What is the InChIKey of 3-(4-methyl-3-phenylpyrazol-1-yl)propanamide?
The InChIKey is AFJQIADLUJXAAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-10-9-16(8-7-12(14)17)15-13(10)11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H2,14,17).
What are the key properties of 3-(4-methyl-3-phenylpyrazol-1-yl)propanamide?
3-(4-methyl-3-phenylpyrazol-1-yl)propanamide has a molecular weight of 229.28 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-3-phenylpyrazol-1-yl)propanamide is sourced from PubChem (CID 154215861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).