N-[1-(4-butan-2-ylphenyl)propyl]-2-(4-chloropyrazol-1-yl)propanamide

C19H26ClN3O — CID 19538484

IUPACN-[1-(4-butan-2-ylphenyl)propyl]-2-(4-chloropyrazol-1-yl)propanamide
SMILESCCC(C)c1ccc(C(CC)NC(=O)C(C)n2cc(Cl)cn2)cc1
InChIInChI=1S/C19H26ClN3O/c1-5-13(3)15-7-9-16(10-8-15)18(6-2)22-19(24)14(4)23-12-17(20)11-21-23/h7-14,18H,5-6H2,1-4H3,(H,22,24)
InChIKeyYMRQZOXWEOREFS-UHFFFAOYSA-N
MW347.89 g/mol
LogP4.88
Rot. Bonds7

About N-[1-(4-butan-2-ylphenyl)propyl]-2-(4-chloropyrazol-1-yl)propanamide

N-[1-(4-butan-2-ylphenyl)propyl]-2-(4-chloropyrazol-1-yl)propanamide (PubChem CID 19538484) has the molecular formula C19H26ClN3O and a molecular weight of 347.89 g/mol. Its IUPAC name is N-[1-(4-butan-2-ylphenyl)propyl]-2-(4-chloropyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[1-(4-butan-2-ylphenyl)propyl]-2-(4-chloropyrazol-1-yl)propanamide
PubChem CID19538484
Molecular FormulaC19H26ClN3O
Molecular Weight347.89 g/mol
Exact Mass347.18
IUPAC NameN-[1-(4-butan-2-ylphenyl)propyl]-2-(4-chloropyrazol-1-yl)propanamide
SMILESCCC(C)c1ccc(C(CC)NC(=O)C(C)n2cc(Cl)cn2)cc1
InChIInChI=1S/C19H26ClN3O/c1-5-13(3)15-7-9-16(10-8-15)18(6-2)22-19(24)14(4)23-12-17(20)11-21-23/h7-14,18H,5-6H2,1-4H3,(H,22,24)
InChIKeyYMRQZOXWEOREFS-UHFFFAOYSA-N
XLogP4.88
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.89
LogP ≤ 54.88
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
N-[1-(4-butan-2-ylphenyl)propyl]-3-(4-chloropyrazol-1-yl)propanamide
CID 19542086
2-(4-bromopyrazol-1-yl)-N-(1-phenylpropyl)propanamide
CID 19537559
3-(4-chloropyrazol-1-yl)-2-methyl-N-(1-phenylpropyl)propanamide
CID 19570387
2-(4-chloropyrazol-1-yl)-N-(2-sulfanylethyl)propanamide
CID 19538486
2-(4-chloropyrazol-1-yl)-N-[1-(4-methylphenyl)propyl]acetamide
CID 19584605
4-[1-(4-chlorophenyl)propylamino]-2,3-dimethyl-4-oxobutanoic acid
CID 103497036
2-(4-chloro-3-methylpyrazol-1-yl)-N-(1-phenylpropyl)propanamide
CID 19533979
(2S)-2-(4-chloropyrazol-1-yl)propanoic acid
CID 7026118
2-(4-chloropyrazol-1-yl)-N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]propanamide
CID 118788357
2-(4-chloropyrazol-1-yl)-N-[3-(4-chloropyrazol-1-yl)propyl]propanamide
CID 19538607
N-[1-(4-methylphenyl)propyl]-2-(3-methylpyrazol-1-yl)propanamide
CID 19536949

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-butan-2-ylphenyl)propyl]-2-(4-chloropyrazol-1-yl)propanamide?
The IUPAC name of N-[1-(4-butan-2-ylphenyl)propyl]-2-(4-chloropyrazol-1-yl)propanamide (CID 19538484) is N-[1-(4-butan-2-ylphenyl)propyl]-2-(4-chloropyrazol-1-yl)propanamide.
What is the SMILES notation for N-[1-(4-butan-2-ylphenyl)propyl]-2-(4-chloropyrazol-1-yl)propanamide?
The canonical SMILES for N-[1-(4-butan-2-ylphenyl)propyl]-2-(4-chloropyrazol-1-yl)propanamide is CCC(C)c1ccc(C(CC)NC(=O)C(C)n2cc(Cl)cn2)cc1.
What is the InChIKey of N-[1-(4-butan-2-ylphenyl)propyl]-2-(4-chloropyrazol-1-yl)propanamide?
The InChIKey is YMRQZOXWEOREFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClN3O/c1-5-13(3)15-7-9-16(10-8-15)18(6-2)22-19(24)14(4)23-12-17(20)11-21-23/h7-14,18H,5-6H2,1-4H3,(H,22,24).
What are the key properties of N-[1-(4-butan-2-ylphenyl)propyl]-2-(4-chloropyrazol-1-yl)propanamide?
N-[1-(4-butan-2-ylphenyl)propyl]-2-(4-chloropyrazol-1-yl)propanamide has a molecular weight of 347.89 g/mol, XLogP of 4.88, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-butan-2-ylphenyl)propyl]-2-(4-chloropyrazol-1-yl)propanamide is sourced from PubChem (CID 19538484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).