2-(4-chloro-3-methylpyrazol-1-yl)-N-(1-phenylpropyl)propanamide

C16H20ClN3O — CID 19533979

IUPAC2-(4-chloro-3-methylpyrazol-1-yl)-N-(1-phenylpropyl)propanamide
SMILESCCC(NC(=O)C(C)n1cc(Cl)c(C)n1)c1ccccc1
InChIInChI=1S/C16H20ClN3O/c1-4-15(13-8-6-5-7-9-13)18-16(21)12(3)20-10-14(17)11(2)19-20/h5-10,12,15H,4H2,1-3H3,(H,18,21)
InChIKeyVWDXMDHNHNAVDB-UHFFFAOYSA-N
MW305.81 g/mol
LogP3.67
Rot. Bonds5

About 2-(4-chloro-3-methylpyrazol-1-yl)-N-(1-phenylpropyl)propanamide

2-(4-chloro-3-methylpyrazol-1-yl)-N-(1-phenylpropyl)propanamide (PubChem CID 19533979) has the molecular formula C16H20ClN3O and a molecular weight of 305.81 g/mol. Its IUPAC name is 2-(4-chloro-3-methylpyrazol-1-yl)-N-(1-phenylpropyl)propanamide.

Molecular Properties

Compound Name2-(4-chloro-3-methylpyrazol-1-yl)-N-(1-phenylpropyl)propanamide
PubChem CID19533979
Molecular FormulaC16H20ClN3O
Molecular Weight305.81 g/mol
Exact Mass305.13
IUPAC Name2-(4-chloro-3-methylpyrazol-1-yl)-N-(1-phenylpropyl)propanamide
SMILESCCC(NC(=O)C(C)n1cc(Cl)c(C)n1)c1ccccc1
InChIInChI=1S/C16H20ClN3O/c1-4-15(13-8-6-5-7-9-13)18-16(21)12(3)20-10-14(17)11(2)19-20/h5-10,12,15H,4H2,1-3H3,(H,18,21)
InChIKeyVWDXMDHNHNAVDB-UHFFFAOYSA-N
XLogP3.67
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-butan-2-ylphenyl)propyl]-2-(4-chloro-3-methylpyrazol-1-yl)propanamide
CID 19533983
2-(3-methylpyrazol-1-yl)-N-(1-phenylpropyl)propanamide
CID 19536946
2-(4-bromopyrazol-1-yl)-N-(1-phenylpropyl)propanamide
CID 19537559
2-(4-bromo-3-methylpyrazol-1-yl)-N-(1-phenylethyl)propanamide
CID 19533359
3-(4-chloropyrazol-1-yl)-2-methyl-N-(1-phenylpropyl)propanamide
CID 19570387
N-[1-(4-methylphenyl)propyl]-2-(3-methylpyrazol-1-yl)propanamide
CID 19536949
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-(4-methylphenyl)propyl]propanamide
CID 19537869
N-[1-(4-butan-2-ylphenyl)propyl]-2-(4-chloropyrazol-1-yl)propanamide
CID 19538484
2-bromo-N-[(1R)-1-phenylpropyl]propanamide
CID 165438304
(2R)-2-cyano-N-[(1R)-1-phenylpropyl]propanamide
CID 94396295
(2S)-2-(methylamino)-N-(1-phenylpropyl)propanamide
CID 165438311
(2S)-2-(2-chlorophenoxy)-N-[(1S)-1-phenylpropyl]propanamide
CID 93234576

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylpyrazol-1-yl)-N-(1-phenylpropyl)propanamide?
The IUPAC name of 2-(4-chloro-3-methylpyrazol-1-yl)-N-(1-phenylpropyl)propanamide (CID 19533979) is 2-(4-chloro-3-methylpyrazol-1-yl)-N-(1-phenylpropyl)propanamide.
What is the SMILES notation for 2-(4-chloro-3-methylpyrazol-1-yl)-N-(1-phenylpropyl)propanamide?
The canonical SMILES for 2-(4-chloro-3-methylpyrazol-1-yl)-N-(1-phenylpropyl)propanamide is CCC(NC(=O)C(C)n1cc(Cl)c(C)n1)c1ccccc1.
What is the InChIKey of 2-(4-chloro-3-methylpyrazol-1-yl)-N-(1-phenylpropyl)propanamide?
The InChIKey is VWDXMDHNHNAVDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O/c1-4-15(13-8-6-5-7-9-13)18-16(21)12(3)20-10-14(17)11(2)19-20/h5-10,12,15H,4H2,1-3H3,(H,18,21).
What are the key properties of 2-(4-chloro-3-methylpyrazol-1-yl)-N-(1-phenylpropyl)propanamide?
2-(4-chloro-3-methylpyrazol-1-yl)-N-(1-phenylpropyl)propanamide has a molecular weight of 305.81 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methylpyrazol-1-yl)-N-(1-phenylpropyl)propanamide is sourced from PubChem (CID 19533979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).