N-[1-(4-butan-2-ylphenyl)propyl]-3-(4-chloropyrazol-1-yl)propanamide

C19H26ClN3O — CID 19542086

IUPACN-[1-(4-butan-2-ylphenyl)propyl]-3-(4-chloropyrazol-1-yl)propanamide
SMILESCCC(C)c1ccc(C(CC)NC(=O)CCn2cc(Cl)cn2)cc1
InChIInChI=1S/C19H26ClN3O/c1-4-14(3)15-6-8-16(9-7-15)18(5-2)22-19(24)10-11-23-13-17(20)12-21-23/h6-9,12-14,18H,4-5,10-11H2,1-3H3,(H,22,24)
InChIKeyBWXJKWGCACOIJC-UHFFFAOYSA-N
MW347.89 g/mol
LogP4.71
Rot. Bonds8

About N-[1-(4-butan-2-ylphenyl)propyl]-3-(4-chloropyrazol-1-yl)propanamide

N-[1-(4-butan-2-ylphenyl)propyl]-3-(4-chloropyrazol-1-yl)propanamide (PubChem CID 19542086) 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]-3-(4-chloropyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[1-(4-butan-2-ylphenyl)propyl]-3-(4-chloropyrazol-1-yl)propanamide
PubChem CID19542086
Molecular FormulaC19H26ClN3O
Molecular Weight347.89 g/mol
Exact Mass347.18
IUPAC NameN-[1-(4-butan-2-ylphenyl)propyl]-3-(4-chloropyrazol-1-yl)propanamide
SMILESCCC(C)c1ccc(C(CC)NC(=O)CCn2cc(Cl)cn2)cc1
InChIInChI=1S/C19H26ClN3O/c1-4-14(3)15-6-8-16(9-7-15)18(5-2)22-19(24)10-11-23-13-17(20)12-21-23/h6-9,12-14,18H,4-5,10-11H2,1-3H3,(H,22,24)
InChIKeyBWXJKWGCACOIJC-UHFFFAOYSA-N
XLogP4.71
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.89
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-butan-2-ylphenyl)propyl]-2-(4-chloropyrazol-1-yl)propanamide
CID 19538484
3-(4-chloropyrazol-1-yl)-N-propan-2-ylpropanamide
CID 19542099
2-(4-chloropyrazol-1-yl)-N-[1-(4-methylphenyl)propyl]acetamide
CID 19584605
(2R)-2-[3-(4-chloropyrazol-1-yl)propanoylamino]-3-methylbutanoic acid
CID 119369224
N-butyl-3-(4-chloropyrazol-1-yl)propanamide
CID 19539689
3-(4-chloropyrazol-1-yl)-2-methyl-N-(1-phenylpropyl)propanamide
CID 19570387
2-[3-oxo-3-[1-(4-propan-2-ylphenyl)propylamino]propyl]pyrazole-3-carboxylic acid
CID 19492194
3-(4-chloropyrazol-1-yl)-N-[2-(4-chloropyrazol-1-yl)ethyl]propanamide
CID 19283459
N-[1-(4-butan-2-ylphenyl)propyl]-4-iodo-1-methylpyrazole-5-carboxamide
CID 19476113
N-[(1R)-1-(1-adamantyl)ethyl]-3-(4-chloropyrazol-1-yl)propanamide
CID 40761680
N-[1-(4-butan-2-ylphenyl)propyl]-2-(4-chloro-3-methylpyrazol-1-yl)propanamide
CID 19533983
N-[1-(4-methylphenyl)propyl]-3-(3-methylpyrazol-1-yl)propanamide
CID 19555806

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-butan-2-ylphenyl)propyl]-3-(4-chloropyrazol-1-yl)propanamide?
The IUPAC name of N-[1-(4-butan-2-ylphenyl)propyl]-3-(4-chloropyrazol-1-yl)propanamide (CID 19542086) is N-[1-(4-butan-2-ylphenyl)propyl]-3-(4-chloropyrazol-1-yl)propanamide.
What is the SMILES notation for N-[1-(4-butan-2-ylphenyl)propyl]-3-(4-chloropyrazol-1-yl)propanamide?
The canonical SMILES for N-[1-(4-butan-2-ylphenyl)propyl]-3-(4-chloropyrazol-1-yl)propanamide is CCC(C)c1ccc(C(CC)NC(=O)CCn2cc(Cl)cn2)cc1.
What is the InChIKey of N-[1-(4-butan-2-ylphenyl)propyl]-3-(4-chloropyrazol-1-yl)propanamide?
The InChIKey is BWXJKWGCACOIJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClN3O/c1-4-14(3)15-6-8-16(9-7-15)18(5-2)22-19(24)10-11-23-13-17(20)12-21-23/h6-9,12-14,18H,4-5,10-11H2,1-3H3,(H,22,24).
What are the key properties of N-[1-(4-butan-2-ylphenyl)propyl]-3-(4-chloropyrazol-1-yl)propanamide?
N-[1-(4-butan-2-ylphenyl)propyl]-3-(4-chloropyrazol-1-yl)propanamide has a molecular weight of 347.89 g/mol, XLogP of 4.71, 8 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]-3-(4-chloropyrazol-1-yl)propanamide is sourced from PubChem (CID 19542086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).