3-cyclopentyl-N-[(2-ethylpyrazol-3-yl)methyl]propanamide

C14H23N3O — CID 35520943

IUPAC3-cyclopentyl-N-[(2-ethylpyrazol-3-yl)methyl]propanamide
SMILESCCn1nccc1CNC(=O)CCC1CCCC1
InChIInChI=1S/C14H23N3O/c1-2-17-13(9-10-16-17)11-15-14(18)8-7-12-5-3-4-6-12/h9-10,12H,2-8,11H2,1H3,(H,15,18)
InChIKeyGKYRGFAELHVGOJ-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.49
Rot. Bonds6

About 3-cyclopentyl-N-[(2-ethylpyrazol-3-yl)methyl]propanamide

3-cyclopentyl-N-[(2-ethylpyrazol-3-yl)methyl]propanamide (PubChem CID 35520943) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 3-cyclopentyl-N-[(2-ethylpyrazol-3-yl)methyl]propanamide.

Molecular Properties

Compound Name3-cyclopentyl-N-[(2-ethylpyrazol-3-yl)methyl]propanamide
PubChem CID35520943
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name3-cyclopentyl-N-[(2-ethylpyrazol-3-yl)methyl]propanamide
SMILESCCn1nccc1CNC(=O)CCC1CCCC1
InChIInChI=1S/C14H23N3O/c1-2-17-13(9-10-16-17)11-15-14(18)8-7-12-5-3-4-6-12/h9-10,12H,2-8,11H2,1H3,(H,15,18)
InChIKeyGKYRGFAELHVGOJ-UHFFFAOYSA-N
XLogP2.49
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-[(2-ethylpyrazol-3-yl)methyl]propanamide?
The IUPAC name of 3-cyclopentyl-N-[(2-ethylpyrazol-3-yl)methyl]propanamide (CID 35520943) is 3-cyclopentyl-N-[(2-ethylpyrazol-3-yl)methyl]propanamide.
What is the SMILES notation for 3-cyclopentyl-N-[(2-ethylpyrazol-3-yl)methyl]propanamide?
The canonical SMILES for 3-cyclopentyl-N-[(2-ethylpyrazol-3-yl)methyl]propanamide is CCn1nccc1CNC(=O)CCC1CCCC1.
What is the InChIKey of 3-cyclopentyl-N-[(2-ethylpyrazol-3-yl)methyl]propanamide?
The InChIKey is GKYRGFAELHVGOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-2-17-13(9-10-16-17)11-15-14(18)8-7-12-5-3-4-6-12/h9-10,12H,2-8,11H2,1H3,(H,15,18).
What are the key properties of 3-cyclopentyl-N-[(2-ethylpyrazol-3-yl)methyl]propanamide?
3-cyclopentyl-N-[(2-ethylpyrazol-3-yl)methyl]propanamide has a molecular weight of 249.36 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-[(2-ethylpyrazol-3-yl)methyl]propanamide is sourced from PubChem (CID 35520943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).