1-cyclopentyl-5-(2-methylpyrazol-3-yl)pentan-3-one

C14H22N2O — CID 103024270

IUPAC1-cyclopentyl-5-(2-methylpyrazol-3-yl)pentan-3-one
SMILESCn1nccc1CCC(=O)CCC1CCCC1
InChIInChI=1S/C14H22N2O/c1-16-13(10-11-15-16)7-9-14(17)8-6-12-4-2-3-5-12/h10-12H,2-9H2,1H3
InChIKeyXNHDMKUNWVWULV-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.89
Rot. Bonds6

About 1-cyclopentyl-5-(2-methylpyrazol-3-yl)pentan-3-one

1-cyclopentyl-5-(2-methylpyrazol-3-yl)pentan-3-one (PubChem CID 103024270) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-cyclopentyl-5-(2-methylpyrazol-3-yl)pentan-3-one.

Molecular Properties

Compound Name1-cyclopentyl-5-(2-methylpyrazol-3-yl)pentan-3-one
PubChem CID103024270
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name1-cyclopentyl-5-(2-methylpyrazol-3-yl)pentan-3-one
SMILESCn1nccc1CCC(=O)CCC1CCCC1
InChIInChI=1S/C14H22N2O/c1-16-13(10-11-15-16)7-9-14(17)8-6-12-4-2-3-5-12/h10-12H,2-9H2,1H3
InChIKeyXNHDMKUNWVWULV-UHFFFAOYSA-N
XLogP2.89
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-5-(2-methylpyrazol-3-yl)pentan-3-one?
The IUPAC name of 1-cyclopentyl-5-(2-methylpyrazol-3-yl)pentan-3-one (CID 103024270) is 1-cyclopentyl-5-(2-methylpyrazol-3-yl)pentan-3-one.
What is the SMILES notation for 1-cyclopentyl-5-(2-methylpyrazol-3-yl)pentan-3-one?
The canonical SMILES for 1-cyclopentyl-5-(2-methylpyrazol-3-yl)pentan-3-one is Cn1nccc1CCC(=O)CCC1CCCC1.
What is the InChIKey of 1-cyclopentyl-5-(2-methylpyrazol-3-yl)pentan-3-one?
The InChIKey is XNHDMKUNWVWULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-16-13(10-11-15-16)7-9-14(17)8-6-12-4-2-3-5-12/h10-12H,2-9H2,1H3.
What are the key properties of 1-cyclopentyl-5-(2-methylpyrazol-3-yl)pentan-3-one?
1-cyclopentyl-5-(2-methylpyrazol-3-yl)pentan-3-one has a molecular weight of 234.34 g/mol, XLogP of 2.89, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-5-(2-methylpyrazol-3-yl)pentan-3-one is sourced from PubChem (CID 103024270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).