3-(4-chloropyrazol-1-yl)-2-methyl-N-(1-phenylpropyl)propanamide

C16H20ClN3O — CID 19570387

IUPAC3-(4-chloropyrazol-1-yl)-2-methyl-N-(1-phenylpropyl)propanamide
SMILESCCC(NC(=O)C(C)Cn1cc(Cl)cn1)c1ccccc1
InChIInChI=1S/C16H20ClN3O/c1-3-15(13-7-5-4-6-8-13)19-16(21)12(2)10-20-11-14(17)9-18-20/h4-9,11-12,15H,3,10H2,1-2H3,(H,19,21)
InChIKeyDXZPQDMLVRFYQC-UHFFFAOYSA-N
MW305.81 g/mol
LogP3.44
Rot. Bonds6

About 3-(4-chloropyrazol-1-yl)-2-methyl-N-(1-phenylpropyl)propanamide

3-(4-chloropyrazol-1-yl)-2-methyl-N-(1-phenylpropyl)propanamide (PubChem CID 19570387) has the molecular formula C16H20ClN3O and a molecular weight of 305.81 g/mol. Its IUPAC name is 3-(4-chloropyrazol-1-yl)-2-methyl-N-(1-phenylpropyl)propanamide.

Molecular Properties

Compound Name3-(4-chloropyrazol-1-yl)-2-methyl-N-(1-phenylpropyl)propanamide
PubChem CID19570387
Molecular FormulaC16H20ClN3O
Molecular Weight305.81 g/mol
Exact Mass305.13
IUPAC Name3-(4-chloropyrazol-1-yl)-2-methyl-N-(1-phenylpropyl)propanamide
SMILESCCC(NC(=O)C(C)Cn1cc(Cl)cn1)c1ccccc1
InChIInChI=1S/C16H20ClN3O/c1-3-15(13-7-5-4-6-8-13)19-16(21)12(2)10-20-11-14(17)9-18-20/h4-9,11-12,15H,3,10H2,1-2H3,(H,19,21)
InChIKeyDXZPQDMLVRFYQC-UHFFFAOYSA-N
XLogP3.44
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-3-(4-chloropyrazol-1-yl)-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylpropyl]-2-methylpropanamide
CID 92582222
3-(4-bromopyrazol-1-yl)-2-methyl-N-[1-(4-methylphenyl)propyl]propanamide
CID 19564662
N-[1-(4-butan-2-ylphenyl)propyl]-2-(4-chloropyrazol-1-yl)propanamide
CID 19538484
2-(4-chloropyrazol-1-yl)-N-[1-(4-methylphenyl)propyl]acetamide
CID 19584605
N-[1-(1,3-benzoxazol-2-yl)ethyl]-3-(4-chloropyrazol-1-yl)-2-methylpropanamide
CID 110278723
2-(4-bromopyrazol-1-yl)-N-(1-phenylpropyl)propanamide
CID 19537559
2-(4-chloro-3-methylpyrazol-1-yl)-N-(1-phenylpropyl)propanamide
CID 19533979
N-[1-(4-butan-2-ylphenyl)propyl]-3-(4-chloropyrazol-1-yl)propanamide
CID 19542086
3-(4-chloropyrazol-1-yl)-N-[(1-ethylpyrazol-3-yl)methyl]-2-methylpropanamide
CID 19570486
3-(4-chloropyrazol-1-yl)-N-[4-(diethylamino)phenyl]-2-methylpropanamide
CID 19570296
3-(4-chloropyrazol-1-yl)-N-[3-(dimethylamino)propyl]-2-methylpropanamide
CID 19570403
2-bromo-N-[(1R)-1-phenylpropyl]propanamide
CID 165438304

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloropyrazol-1-yl)-2-methyl-N-(1-phenylpropyl)propanamide?
The IUPAC name of 3-(4-chloropyrazol-1-yl)-2-methyl-N-(1-phenylpropyl)propanamide (CID 19570387) is 3-(4-chloropyrazol-1-yl)-2-methyl-N-(1-phenylpropyl)propanamide.
What is the SMILES notation for 3-(4-chloropyrazol-1-yl)-2-methyl-N-(1-phenylpropyl)propanamide?
The canonical SMILES for 3-(4-chloropyrazol-1-yl)-2-methyl-N-(1-phenylpropyl)propanamide is CCC(NC(=O)C(C)Cn1cc(Cl)cn1)c1ccccc1.
What is the InChIKey of 3-(4-chloropyrazol-1-yl)-2-methyl-N-(1-phenylpropyl)propanamide?
The InChIKey is DXZPQDMLVRFYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O/c1-3-15(13-7-5-4-6-8-13)19-16(21)12(2)10-20-11-14(17)9-18-20/h4-9,11-12,15H,3,10H2,1-2H3,(H,19,21).
What are the key properties of 3-(4-chloropyrazol-1-yl)-2-methyl-N-(1-phenylpropyl)propanamide?
3-(4-chloropyrazol-1-yl)-2-methyl-N-(1-phenylpropyl)propanamide has a molecular weight of 305.81 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloropyrazol-1-yl)-2-methyl-N-(1-phenylpropyl)propanamide is sourced from PubChem (CID 19570387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).