2-ethyl-N-[3-(4-methylpyrazol-1-yl)propyl]butanamide

C13H23N3O — CID 19327956

IUPAC2-ethyl-N-[3-(4-methylpyrazol-1-yl)propyl]butanamide
SMILESCCC(CC)C(=O)NCCCn1cc(C)cn1
InChIInChI=1S/C13H23N3O/c1-4-12(5-2)13(17)14-7-6-8-16-10-11(3)9-15-16/h9-10,12H,4-8H2,1-3H3,(H,14,17)
InChIKeyQNABGTQTFOVUNP-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.13
Rot. Bonds7

About 2-ethyl-N-[3-(4-methylpyrazol-1-yl)propyl]butanamide

2-ethyl-N-[3-(4-methylpyrazol-1-yl)propyl]butanamide (PubChem CID 19327956) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 2-ethyl-N-[3-(4-methylpyrazol-1-yl)propyl]butanamide.

Molecular Properties

Compound Name2-ethyl-N-[3-(4-methylpyrazol-1-yl)propyl]butanamide
PubChem CID19327956
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name2-ethyl-N-[3-(4-methylpyrazol-1-yl)propyl]butanamide
SMILESCCC(CC)C(=O)NCCCn1cc(C)cn1
InChIInChI=1S/C13H23N3O/c1-4-12(5-2)13(17)14-7-6-8-16-10-11(3)9-15-16/h9-10,12H,4-8H2,1-3H3,(H,14,17)
InChIKeyQNABGTQTFOVUNP-UHFFFAOYSA-N
XLogP2.13
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(4-methylpyrazol-1-yl)propyl]acetamide
CID 19328226
N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-2-ethylbutanamide
CID 19329804
4-chloro-N-[3-(4-methylpyrazol-1-yl)propyl]benzamide
CID 4862990
2-methyl-N-[3-(4-methylpyrazol-1-yl)propyl]pentan-3-amine
CID 115715289
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[3-(4-methylpyrazol-1-yl)propyl]propanamide
CID 19328178
2-[3-[3-(4-methylpyrazol-1-yl)propylcarbamoyl]pyrazol-1-yl]acetic acid
CID 19500273
2-chloro-N-[2-(4-methylpyrazol-1-yl)ethyl]propanamide
CID 103881624
1-[3-(4-methylpyrazol-1-yl)propyl]-3-propan-2-ylthiourea
CID 19573005
2,2,3,3,4,4,4-heptafluoro-N-[3-(4-methylpyrazol-1-yl)propyl]butanamide
CID 19328081
1-[3-[3-(4-methylpyrazol-1-yl)propylamino]-3-oxopropyl]pyrazole-4-carboxylic acid
CID 19483106
2-methyl-N-[3-(4-methylpyrazol-1-yl)propyl]-2-pyrrolidin-1-ylpropanamide
CID 119060470
N-butyl-2-(4-methylpyrazol-1-yl)acetamide
CID 19526650

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[3-(4-methylpyrazol-1-yl)propyl]butanamide?
The IUPAC name of 2-ethyl-N-[3-(4-methylpyrazol-1-yl)propyl]butanamide (CID 19327956) is 2-ethyl-N-[3-(4-methylpyrazol-1-yl)propyl]butanamide.
What is the SMILES notation for 2-ethyl-N-[3-(4-methylpyrazol-1-yl)propyl]butanamide?
The canonical SMILES for 2-ethyl-N-[3-(4-methylpyrazol-1-yl)propyl]butanamide is CCC(CC)C(=O)NCCCn1cc(C)cn1.
What is the InChIKey of 2-ethyl-N-[3-(4-methylpyrazol-1-yl)propyl]butanamide?
The InChIKey is QNABGTQTFOVUNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-4-12(5-2)13(17)14-7-6-8-16-10-11(3)9-15-16/h9-10,12H,4-8H2,1-3H3,(H,14,17).
What are the key properties of 2-ethyl-N-[3-(4-methylpyrazol-1-yl)propyl]butanamide?
2-ethyl-N-[3-(4-methylpyrazol-1-yl)propyl]butanamide has a molecular weight of 237.35 g/mol, XLogP of 2.13, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[3-(4-methylpyrazol-1-yl)propyl]butanamide is sourced from PubChem (CID 19327956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).