N-(3-ethylphenyl)-3-pyrazol-1-ylpropanamide

C14H17N3O — CID 46339322

IUPACN-(3-ethylphenyl)-3-pyrazol-1-ylpropanamide
SMILESCCc1cccc(NC(=O)CCn2cccn2)c1
InChIInChI=1S/C14H17N3O/c1-2-12-5-3-6-13(11-12)16-14(18)7-10-17-9-4-8-15-17/h3-6,8-9,11H,2,7,10H2,1H3,(H,16,18)
InChIKeyGYLNANZZHZGFNW-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.47
Rot. Bonds5

About N-(3-ethylphenyl)-3-pyrazol-1-ylpropanamide

N-(3-ethylphenyl)-3-pyrazol-1-ylpropanamide (PubChem CID 46339322) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is N-(3-ethylphenyl)-3-pyrazol-1-ylpropanamide.

Molecular Properties

Compound NameN-(3-ethylphenyl)-3-pyrazol-1-ylpropanamide
PubChem CID46339322
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC NameN-(3-ethylphenyl)-3-pyrazol-1-ylpropanamide
SMILESCCc1cccc(NC(=O)CCn2cccn2)c1
InChIInChI=1S/C14H17N3O/c1-2-12-5-3-6-13(11-12)16-14(18)7-10-17-9-4-8-15-17/h3-6,8-9,11H,2,7,10H2,1H3,(H,16,18)
InChIKeyGYLNANZZHZGFNW-UHFFFAOYSA-N
XLogP2.47
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 46339350
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CID 86979438
N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]-3-pyrazol-1-ylpropanamide
CID 71916687
N-(3-carbamothioylphenyl)-3-pyrazol-1-ylpropanamide
CID 24703120
3-(4-bromopyrazol-1-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 19561765
1-[3-oxo-3-[3-(pyrazol-1-ylmethyl)anilino]propyl]pyrazole-4-carboxylic acid
CID 19483026
N-(2,3-dimethylquinoxalin-6-yl)-3-pyrazol-1-ylpropanamide
CID 92596027
2-amino-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 43697313
N-(3-bromo-5-methylphenyl)-3-pyrazol-1-ylpropanamide
CID 104939286
N-(3-ethylphenyl)decanamide
CID 4053743
N-[3-(aminomethyl)phenyl]-3-(triazol-1-yl)propanamide
CID 63254516
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Frequently Asked Questions

What is the IUPAC name of N-(3-ethylphenyl)-3-pyrazol-1-ylpropanamide?
The IUPAC name of N-(3-ethylphenyl)-3-pyrazol-1-ylpropanamide (CID 46339322) is N-(3-ethylphenyl)-3-pyrazol-1-ylpropanamide.
What is the SMILES notation for N-(3-ethylphenyl)-3-pyrazol-1-ylpropanamide?
The canonical SMILES for N-(3-ethylphenyl)-3-pyrazol-1-ylpropanamide is CCc1cccc(NC(=O)CCn2cccn2)c1.
What is the InChIKey of N-(3-ethylphenyl)-3-pyrazol-1-ylpropanamide?
The InChIKey is GYLNANZZHZGFNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-2-12-5-3-6-13(11-12)16-14(18)7-10-17-9-4-8-15-17/h3-6,8-9,11H,2,7,10H2,1H3,(H,16,18).
What are the key properties of N-(3-ethylphenyl)-3-pyrazol-1-ylpropanamide?
N-(3-ethylphenyl)-3-pyrazol-1-ylpropanamide has a molecular weight of 243.31 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylphenyl)-3-pyrazol-1-ylpropanamide is sourced from PubChem (CID 46339322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).