1-butyl-3,5-di(propan-2-yl)pyrazol-4-ol

C13H24N2O — CID 166083041

IUPAC1-butyl-3,5-di(propan-2-yl)pyrazol-4-ol
SMILESCCCCn1nc(C(C)C)c(O)c1C(C)C
InChIInChI=1S/C13H24N2O/c1-6-7-8-15-12(10(4)5)13(16)11(14-15)9(2)3/h9-10,16H,6-8H2,1-5H3
InChIKeyMAQIWACCIQPAPJ-UHFFFAOYSA-N
MW224.35 g/mol
LogP3.64
Rot. Bonds5

About 1-butyl-3,5-di(propan-2-yl)pyrazol-4-ol

1-butyl-3,5-di(propan-2-yl)pyrazol-4-ol (PubChem CID 166083041) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 1-butyl-3,5-di(propan-2-yl)pyrazol-4-ol.

Molecular Properties

Compound Name1-butyl-3,5-di(propan-2-yl)pyrazol-4-ol
PubChem CID166083041
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name1-butyl-3,5-di(propan-2-yl)pyrazol-4-ol
SMILESCCCCn1nc(C(C)C)c(O)c1C(C)C
InChIInChI=1S/C13H24N2O/c1-6-7-8-15-12(10(4)5)13(16)11(14-15)9(2)3/h9-10,16H,6-8H2,1-5H3
InChIKeyMAQIWACCIQPAPJ-UHFFFAOYSA-N
XLogP3.64
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-butyl-3,5-di(propan-2-yl)pyrazol-4-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

5-ethyl-3-propan-2-yl-1-propylpyrazol-4-ol
CID 166083003
1-ethyl-3-propan-2-yl-5-propylpyrazol-4-ol
CID 166083036
1-methyl-3-propan-2-yl-5-propylpyrazol-4-ol
CID 166083095
1-butyl-4-propan-2-yl-5-propyltriazole
CID 69385473
2-butyl-5-hydroxy-4-(7-hydroxy-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-6-propan-2-ylpyridazin-3-one
CID 135453101
1-butyl-5-propan-2-yltriazole-4-carbonitrile
CID 69383147
1-butyl-4-propan-2-yl-5-(trifluoromethyl)triazole
CID 69382054
3-butyl-5-propan-2-yltriazole-4-carbonitrile
CID 69384076
1-heptyl-5-propan-2-yltriazole-4-carbaldehyde
CID 82208006
5-chloro-1-hexyl-4-propan-2-yltriazole
CID 69382422
5-butan-2-yl-3-butyl-1-methylpyrazol-4-ol
CID 166083008
5-bromo-1-hexyl-4-propan-2-yltriazole
CID 69387210

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3,5-di(propan-2-yl)pyrazol-4-ol?
The IUPAC name of 1-butyl-3,5-di(propan-2-yl)pyrazol-4-ol (CID 166083041) is 1-butyl-3,5-di(propan-2-yl)pyrazol-4-ol.
What is the SMILES notation for 1-butyl-3,5-di(propan-2-yl)pyrazol-4-ol?
The canonical SMILES for 1-butyl-3,5-di(propan-2-yl)pyrazol-4-ol is CCCCn1nc(C(C)C)c(O)c1C(C)C.
What is the InChIKey of 1-butyl-3,5-di(propan-2-yl)pyrazol-4-ol?
The InChIKey is MAQIWACCIQPAPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-6-7-8-15-12(10(4)5)13(16)11(14-15)9(2)3/h9-10,16H,6-8H2,1-5H3.
What are the key properties of 1-butyl-3,5-di(propan-2-yl)pyrazol-4-ol?
1-butyl-3,5-di(propan-2-yl)pyrazol-4-ol has a molecular weight of 224.35 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3,5-di(propan-2-yl)pyrazol-4-ol is sourced from PubChem (CID 166083041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).