3-(3-ethyl-5-methyl-1H-pyrazol-4-yl)propanamide

C9H15N3O — CID 121212756

IUPAC3-(3-ethyl-5-methyl-1H-pyrazol-4-yl)propanamide
SMILESCCc1n[nH]c(C)c1CCC(N)=O
InChIInChI=1S/C9H15N3O/c1-3-8-7(4-5-9(10)13)6(2)11-12-8/h3-5H2,1-2H3,(H2,10,13)(H,11,12)
InChIKeyQSUYYJRQXHYNOJ-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.70
Rot. Bonds4

About 3-(3-ethyl-5-methyl-1H-pyrazol-4-yl)propanamide

3-(3-ethyl-5-methyl-1H-pyrazol-4-yl)propanamide (PubChem CID 121212756) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 3-(3-ethyl-5-methyl-1H-pyrazol-4-yl)propanamide.

Molecular Properties

Compound Name3-(3-ethyl-5-methyl-1H-pyrazol-4-yl)propanamide
PubChem CID121212756
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name3-(3-ethyl-5-methyl-1H-pyrazol-4-yl)propanamide
SMILESCCc1n[nH]c(C)c1CCC(N)=O
InChIInChI=1S/C9H15N3O/c1-3-8-7(4-5-9(10)13)6(2)11-12-8/h3-5H2,1-2H3,(H2,10,13)(H,11,12)
InChIKeyQSUYYJRQXHYNOJ-UHFFFAOYSA-N
XLogP0.70
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-ethyl-5-methyl-1H-pyrazol-4-yl)-N-methylmethanamine
CID 54851004
ethyl 4-(3-ethoxy-3-oxopropyl)-5-methyl-1H-pyrazole-3-carboxylate
CID 156825900
3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoic acid;hydrochloride
CID 47000616
butanamide;4-chloro-5-methyl-1H-pyrazole-3-carboxylic acid
CID 158226280
2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]acetamide
CID 43644720
3,4-diethyl-6-oxo-1H-pyridazine-5-carbothioamide
CID 71756130
4-ethyl-5-methyl-1H-pyrazol-3-amine
CID 3159689
3-ethyl-4-iodo-5-methyl-1H-pyrazole
CID 163869951
3-ethyl-5-methyl-1H-pyrazole-4-carbaldehyde
CID 121212718
3,4-diethyl-6-oxo-1H-pyridazine-5-carboxylic acid
CID 71755942
N-butyl-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
CID 110685526
4-ethyl-5-methyl-1H-pyrazol-3-amine;hydrochloride
CID 53398873

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethyl-5-methyl-1H-pyrazol-4-yl)propanamide?
The IUPAC name of 3-(3-ethyl-5-methyl-1H-pyrazol-4-yl)propanamide (CID 121212756) is 3-(3-ethyl-5-methyl-1H-pyrazol-4-yl)propanamide.
What is the SMILES notation for 3-(3-ethyl-5-methyl-1H-pyrazol-4-yl)propanamide?
The canonical SMILES for 3-(3-ethyl-5-methyl-1H-pyrazol-4-yl)propanamide is CCc1n[nH]c(C)c1CCC(N)=O.
What is the InChIKey of 3-(3-ethyl-5-methyl-1H-pyrazol-4-yl)propanamide?
The InChIKey is QSUYYJRQXHYNOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-3-8-7(4-5-9(10)13)6(2)11-12-8/h3-5H2,1-2H3,(H2,10,13)(H,11,12).
What are the key properties of 3-(3-ethyl-5-methyl-1H-pyrazol-4-yl)propanamide?
3-(3-ethyl-5-methyl-1H-pyrazol-4-yl)propanamide has a molecular weight of 181.24 g/mol, XLogP of 0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethyl-5-methyl-1H-pyrazol-4-yl)propanamide is sourced from PubChem (CID 121212756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).