2-(3-methylpyrazol-1-yl)-N-(1-phenylpropyl)propanamide

C16H21N3O — CID 19536946

IUPAC2-(3-methylpyrazol-1-yl)-N-(1-phenylpropyl)propanamide
SMILESCCC(NC(=O)C(C)n1ccc(C)n1)c1ccccc1
InChIInChI=1S/C16H21N3O/c1-4-15(14-8-6-5-7-9-14)17-16(20)13(3)19-11-10-12(2)18-19/h5-11,13,15H,4H2,1-3H3,(H,17,20)
InChIKeyBDNTXRQWSHKIOB-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.02
Rot. Bonds5

About 2-(3-methylpyrazol-1-yl)-N-(1-phenylpropyl)propanamide

2-(3-methylpyrazol-1-yl)-N-(1-phenylpropyl)propanamide (PubChem CID 19536946) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-(3-methylpyrazol-1-yl)-N-(1-phenylpropyl)propanamide.

Molecular Properties

Compound Name2-(3-methylpyrazol-1-yl)-N-(1-phenylpropyl)propanamide
PubChem CID19536946
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name2-(3-methylpyrazol-1-yl)-N-(1-phenylpropyl)propanamide
SMILESCCC(NC(=O)C(C)n1ccc(C)n1)c1ccccc1
InChIInChI=1S/C16H21N3O/c1-4-15(14-8-6-5-7-9-14)17-16(20)13(3)19-11-10-12(2)18-19/h5-11,13,15H,4H2,1-3H3,(H,17,20)
InChIKeyBDNTXRQWSHKIOB-UHFFFAOYSA-N
XLogP3.02
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-methylphenyl)propyl]-2-(3-methylpyrazol-1-yl)propanamide
CID 19536949
2-(4-chloro-3-methylpyrazol-1-yl)-N-(1-phenylpropyl)propanamide
CID 19533979
2-[3-(1-phenylpropylcarbamoyl)pyrazol-1-yl]propanoic acid
CID 19504138
2-(4-bromopyrazol-1-yl)-N-(1-phenylpropyl)propanamide
CID 19537559
2-bromo-N-[(1R)-1-phenylpropyl]propanamide
CID 165438304
2-(3-methylpyrazol-1-yl)-N-octadecylpropanamide
CID 19536880
N-[(1R)-2-hydroxy-1-phenylethyl]-2-pyrazol-1-ylpropanamide
CID 103772679
(2R)-2-cyano-N-[(1R)-1-phenylpropyl]propanamide
CID 94396295
(2S)-2-(methylamino)-N-(1-phenylpropyl)propanamide
CID 165438311
N-(2-methylsulfanyl-1-phenylethyl)-2-pyrazol-1-ylpropanamide
CID 75372358
N-[1-(4-butan-2-ylphenyl)propyl]-2-(4-chloro-3-methylpyrazol-1-yl)propanamide
CID 19533983
N-(3-ethoxypropyl)-2-(3-methylpyrazol-1-yl)propanamide
CID 19537121

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylpyrazol-1-yl)-N-(1-phenylpropyl)propanamide?
The IUPAC name of 2-(3-methylpyrazol-1-yl)-N-(1-phenylpropyl)propanamide (CID 19536946) is 2-(3-methylpyrazol-1-yl)-N-(1-phenylpropyl)propanamide.
What is the SMILES notation for 2-(3-methylpyrazol-1-yl)-N-(1-phenylpropyl)propanamide?
The canonical SMILES for 2-(3-methylpyrazol-1-yl)-N-(1-phenylpropyl)propanamide is CCC(NC(=O)C(C)n1ccc(C)n1)c1ccccc1.
What is the InChIKey of 2-(3-methylpyrazol-1-yl)-N-(1-phenylpropyl)propanamide?
The InChIKey is BDNTXRQWSHKIOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-4-15(14-8-6-5-7-9-14)17-16(20)13(3)19-11-10-12(2)18-19/h5-11,13,15H,4H2,1-3H3,(H,17,20).
What are the key properties of 2-(3-methylpyrazol-1-yl)-N-(1-phenylpropyl)propanamide?
2-(3-methylpyrazol-1-yl)-N-(1-phenylpropyl)propanamide has a molecular weight of 271.36 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylpyrazol-1-yl)-N-(1-phenylpropyl)propanamide is sourced from PubChem (CID 19536946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).