N-(2-methylpyrazol-3-yl)-3-phenylpropanamide

C13H15N3O — CID 2808909

IUPACN-(2-methylpyrazol-3-yl)-3-phenylpropanamide
SMILESCn1nccc1NC(=O)CCc1ccccc1
InChIInChI=1S/C13H15N3O/c1-16-12(9-10-14-16)15-13(17)8-7-11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3,(H,15,17)
InChIKeyRDRCUEVWULSLKN-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.99
Rot. Bonds4

About N-(2-methylpyrazol-3-yl)-3-phenylpropanamide

N-(2-methylpyrazol-3-yl)-3-phenylpropanamide (PubChem CID 2808909) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is N-(2-methylpyrazol-3-yl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-(2-methylpyrazol-3-yl)-3-phenylpropanamide
PubChem CID2808909
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC NameN-(2-methylpyrazol-3-yl)-3-phenylpropanamide
SMILESCn1nccc1NC(=O)CCc1ccccc1
InChIInChI=1S/C13H15N3O/c1-16-12(9-10-14-16)15-13(17)8-7-11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3,(H,15,17)
InChIKeyRDRCUEVWULSLKN-UHFFFAOYSA-N
XLogP1.99
TPSA46.92 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 ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpyrazol-3-yl)-3-phenylpropanamide?
The IUPAC name of N-(2-methylpyrazol-3-yl)-3-phenylpropanamide (CID 2808909) is N-(2-methylpyrazol-3-yl)-3-phenylpropanamide.
What is the SMILES notation for N-(2-methylpyrazol-3-yl)-3-phenylpropanamide?
The canonical SMILES for N-(2-methylpyrazol-3-yl)-3-phenylpropanamide is Cn1nccc1NC(=O)CCc1ccccc1.
What is the InChIKey of N-(2-methylpyrazol-3-yl)-3-phenylpropanamide?
The InChIKey is RDRCUEVWULSLKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-16-12(9-10-14-16)15-13(17)8-7-11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3,(H,15,17).
What are the key properties of N-(2-methylpyrazol-3-yl)-3-phenylpropanamide?
N-(2-methylpyrazol-3-yl)-3-phenylpropanamide has a molecular weight of 229.28 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpyrazol-3-yl)-3-phenylpropanamide is sourced from PubChem (CID 2808909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).