3-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclopent-2-en-1-ol

C14H22N2O — CID 65174882

IUPAC3-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclopent-2-en-1-ol
SMILESCCC(CC)n1ccc(CC2=CC(O)CC2)n1
InChIInChI=1S/C14H22N2O/c1-3-13(4-2)16-8-7-12(15-16)9-11-5-6-14(17)10-11/h7-8,10,13-14,17H,3-6,9H2,1-2H3
InChIKeyVRFCECRQZXULLL-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.87
Rot. Bonds5

About 3-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclopent-2-en-1-ol

3-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclopent-2-en-1-ol (PubChem CID 65174882) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 3-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclopent-2-en-1-ol.

Molecular Properties

Compound Name3-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclopent-2-en-1-ol
PubChem CID65174882
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name3-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclopent-2-en-1-ol
SMILESCCC(CC)n1ccc(CC2=CC(O)CC2)n1
InChIInChI=1S/C14H22N2O/c1-3-13(4-2)16-8-7-12(15-16)9-11-5-6-14(17)10-11/h7-8,10,13-14,17H,3-6,9H2,1-2H3
InChIKeyVRFCECRQZXULLL-UHFFFAOYSA-N
XLogP2.87
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(1-methylpyrazol-3-yl)methyl]cyclohept-2-en-1-ol
CID 107383609
8-[(1-pentan-3-ylpyrazol-3-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 64777691
1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrrolidin-3-ol
CID 64777101
2-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclobutan-1-amine
CID 81013620
3-methyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidin-4-ol
CID 114502495
3-(bromomethyl)-1-pentan-3-ylpyrazole
CID 81222884
1-(1-pentan-3-ylpyrazol-3-yl)propan-2-ol
CID 64785051
[1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidin-4-yl]methanol
CID 64779447
1-(6-bicyclo[3.1.0]hexanyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol
CID 115807875
1,1-dicyclopropyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]methanamine
CID 64800483
3-(1-pentan-3-ylpyrazol-3-yl)propan-1-ol
CID 64778701
1-(cyclopropylamino)-2-methyl-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-ol
CID 66038687

Frequently Asked Questions

What is the IUPAC name of 3-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclopent-2-en-1-ol?
The IUPAC name of 3-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclopent-2-en-1-ol (CID 65174882) is 3-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclopent-2-en-1-ol.
What is the SMILES notation for 3-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclopent-2-en-1-ol?
The canonical SMILES for 3-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclopent-2-en-1-ol is CCC(CC)n1ccc(CC2=CC(O)CC2)n1.
What is the InChIKey of 3-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclopent-2-en-1-ol?
The InChIKey is VRFCECRQZXULLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-3-13(4-2)16-8-7-12(15-16)9-11-5-6-14(17)10-11/h7-8,10,13-14,17H,3-6,9H2,1-2H3.
What are the key properties of 3-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclopent-2-en-1-ol?
3-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclopent-2-en-1-ol has a molecular weight of 234.34 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclopent-2-en-1-ol is sourced from PubChem (CID 65174882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).