1-(1-butan-2-ylpyrazol-3-yl)pent-4-en-2-ol

C12H20N2O — CID 116659983

IUPAC1-(1-butan-2-ylpyrazol-3-yl)pent-4-en-2-ol
SMILESC=CCC(O)Cc1ccn(C(C)CC)n1
InChIInChI=1S/C12H20N2O/c1-4-6-12(15)9-11-7-8-14(13-11)10(3)5-2/h4,7-8,10,12,15H,1,5-6,9H2,2-3H3
InChIKeyHBOXFXQRTVWSPP-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.33
Rot. Bonds6

About 1-(1-butan-2-ylpyrazol-3-yl)pent-4-en-2-ol

1-(1-butan-2-ylpyrazol-3-yl)pent-4-en-2-ol (PubChem CID 116659983) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 1-(1-butan-2-ylpyrazol-3-yl)pent-4-en-2-ol.

Molecular Properties

Compound Name1-(1-butan-2-ylpyrazol-3-yl)pent-4-en-2-ol
PubChem CID116659983
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name1-(1-butan-2-ylpyrazol-3-yl)pent-4-en-2-ol
SMILESC=CCC(O)Cc1ccn(C(C)CC)n1
InChIInChI=1S/C12H20N2O/c1-4-6-12(15)9-11-7-8-14(13-11)10(3)5-2/h4,7-8,10,12,15H,1,5-6,9H2,2-3H3
InChIKeyHBOXFXQRTVWSPP-UHFFFAOYSA-N
XLogP2.33
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(1-butan-2-ylpyrazol-3-yl)pent-4-en-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1-butan-2-ylpyrazol-3-yl)-3-ethylsulfanylpropan-2-ol
CID 65131163
1-(1-butan-2-ylpyrazol-3-yl)-3-methylsulfanylpropan-2-ol
CID 64785469
1-(1-butan-2-ylpyrazol-3-yl)-3-(4-fluorophenyl)propan-2-ol
CID 64783184
1-(1-butan-2-ylpyrazol-3-yl)-2-methylpentan-3-one
CID 64784588
1-(1-butan-2-ylpyrazol-3-yl)but-3-en-2-one
CID 103453597
2-(1-butan-2-ylpyrazol-3-yl)-1-(3-methylfuran-2-yl)ethanol
CID 104800715
3-(3-bromo-2-methylpentyl)-1-butan-2-ylpyrazole
CID 64778850
3-[(1-butan-2-ylpyrazol-3-yl)methyl]-N,4-dimethylpentan-2-amine
CID 64786150
2-amino-3-(1-butan-2-ylpyrazol-3-yl)propanamide
CID 64991110
2-[(1-butan-2-ylpyrazol-3-yl)methyl]-3,3-dimethylbutan-1-ol
CID 83139654
1-[2-(1-butan-2-ylpyrazol-3-yl)-1-hydroxyethyl]cyclopentan-1-ol
CID 103448497
2-(1-butan-2-ylpyrazol-3-yl)-1-(5-methylthiophen-2-yl)ethanol
CID 64785041

Frequently Asked Questions

What is the IUPAC name of 1-(1-butan-2-ylpyrazol-3-yl)pent-4-en-2-ol?
The IUPAC name of 1-(1-butan-2-ylpyrazol-3-yl)pent-4-en-2-ol (CID 116659983) is 1-(1-butan-2-ylpyrazol-3-yl)pent-4-en-2-ol.
What is the SMILES notation for 1-(1-butan-2-ylpyrazol-3-yl)pent-4-en-2-ol?
The canonical SMILES for 1-(1-butan-2-ylpyrazol-3-yl)pent-4-en-2-ol is C=CCC(O)Cc1ccn(C(C)CC)n1.
What is the InChIKey of 1-(1-butan-2-ylpyrazol-3-yl)pent-4-en-2-ol?
The InChIKey is HBOXFXQRTVWSPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-4-6-12(15)9-11-7-8-14(13-11)10(3)5-2/h4,7-8,10,12,15H,1,5-6,9H2,2-3H3.
What are the key properties of 1-(1-butan-2-ylpyrazol-3-yl)pent-4-en-2-ol?
1-(1-butan-2-ylpyrazol-3-yl)pent-4-en-2-ol has a molecular weight of 208.30 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-butan-2-ylpyrazol-3-yl)pent-4-en-2-ol is sourced from PubChem (CID 116659983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).