3-(4-methylphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide

C15H19N3O — CID 103856183

IUPAC3-(4-methylphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide
SMILESCc1ccc(CCC(=O)NC(C)c2cn[nH]c2)cc1
InChIInChI=1S/C15H19N3O/c1-11-3-5-13(6-4-11)7-8-15(19)18-12(2)14-9-16-17-10-14/h3-6,9-10,12H,7-8H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyCKMJSRXWQYAAEJ-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.53
Rot. Bonds5

About 3-(4-methylphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide

3-(4-methylphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide (PubChem CID 103856183) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 3-(4-methylphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(4-methylphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide
PubChem CID103856183
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name3-(4-methylphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide
SMILESCc1ccc(CCC(=O)NC(C)c2cn[nH]c2)cc1
InChIInChI=1S/C15H19N3O/c1-11-3-5-13(6-4-11)7-8-15(19)18-12(2)14-9-16-17-10-14/h3-6,9-10,12H,7-8H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyCKMJSRXWQYAAEJ-UHFFFAOYSA-N
XLogP2.53
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-methylphenyl)methylsulfanyl]-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
CID 103856144
3-(3-bromophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide
CID 103855882
N-[1-(1H-pyrazol-4-yl)ethyl]butanamide
CID 103856506
2-(4-butylphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
CID 103856173
3-(4-tert-butylphenyl)-N-[(1R)-1-(4-methylphenyl)ethyl]propanamide
CID 38016056
2-(3-methylphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
CID 103856094
3-methylsulfanyl-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide
CID 103856287
3-(3,5-dimethylphenoxy)-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide
CID 103855945
5-amino-N-[1-(1H-pyrazol-4-yl)ethyl]pentanamide
CID 106212776
N-[1-(1H-pyrazol-4-yl)ethyl]octanamide
CID 103856713
N-[1-(1H-pyrazol-4-yl)ethyl]nonanamide
CID 113339621
2-(4-acetamidophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
CID 103856024

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide?
The IUPAC name of 3-(4-methylphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide (CID 103856183) is 3-(4-methylphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide.
What is the SMILES notation for 3-(4-methylphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide?
The canonical SMILES for 3-(4-methylphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide is Cc1ccc(CCC(=O)NC(C)c2cn[nH]c2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide?
The InChIKey is CKMJSRXWQYAAEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-11-3-5-13(6-4-11)7-8-15(19)18-12(2)14-9-16-17-10-14/h3-6,9-10,12H,7-8H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 3-(4-methylphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide?
3-(4-methylphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide has a molecular weight of 257.34 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide is sourced from PubChem (CID 103856183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).