5-butan-2-yl-3-butyl-1-methylpyrazol-4-ol

C12H22N2O — CID 166083008

IUPAC5-butan-2-yl-3-butyl-1-methylpyrazol-4-ol
SMILESCCCCc1nn(C)c(C(C)CC)c1O
InChIInChI=1S/C12H22N2O/c1-5-7-8-10-12(15)11(9(3)6-2)14(4)13-10/h9,15H,5-8H2,1-4H3
InChIKeyOWLDWURZSCPFCK-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.98
Rot. Bonds5

About 5-butan-2-yl-3-butyl-1-methylpyrazol-4-ol

5-butan-2-yl-3-butyl-1-methylpyrazol-4-ol (PubChem CID 166083008) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 5-butan-2-yl-3-butyl-1-methylpyrazol-4-ol.

Molecular Properties

Compound Name5-butan-2-yl-3-butyl-1-methylpyrazol-4-ol
PubChem CID166083008
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name5-butan-2-yl-3-butyl-1-methylpyrazol-4-ol
SMILESCCCCc1nn(C)c(C(C)CC)c1O
InChIInChI=1S/C12H22N2O/c1-5-7-8-10-12(15)11(9(3)6-2)14(4)13-10/h9,15H,5-8H2,1-4H3
InChIKeyOWLDWURZSCPFCK-UHFFFAOYSA-N
XLogP2.98
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-butan-2-yl-3-(2-methylpropyl)-1-propylpyrazol-4-ol
CID 170563081
3,4,5-tributyl-1-methylpyrazole
CID 57481984
3-butan-2-yl-1-(2-methylpropyl)-5-propylpyrazol-4-ol
CID 166083128
2,6-di(butan-2-yl)-4-butylphenol
CID 66619822
1-butyl-3,5-di(propan-2-yl)pyrazol-4-ol
CID 166083041
1-(2,3,5-tributylimidazol-4-yl)ethanol;hydrochloride
CID 175195574
4-bromo-N-(3-butyl-1,5-dimethylpyrazol-4-yl)benzenesulfonamide
CID 58561364
1-methyl-3-propan-2-yl-5-propylpyrazol-4-ol
CID 166083095
3-butyl-1-methylindazole;ethane;3-(1-methylindazol-3-yl)propan-1-ol
CID 91002928
2,4-dimethyl-5-nonylpyrazol-3-amine
CID 65426344
3-butyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 57350721
4-butyl-5-hexan-3-yl-1-methyl-1,3,2-diazaborole
CID 174041396

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-3-butyl-1-methylpyrazol-4-ol?
The IUPAC name of 5-butan-2-yl-3-butyl-1-methylpyrazol-4-ol (CID 166083008) is 5-butan-2-yl-3-butyl-1-methylpyrazol-4-ol.
What is the SMILES notation for 5-butan-2-yl-3-butyl-1-methylpyrazol-4-ol?
The canonical SMILES for 5-butan-2-yl-3-butyl-1-methylpyrazol-4-ol is CCCCc1nn(C)c(C(C)CC)c1O.
What is the InChIKey of 5-butan-2-yl-3-butyl-1-methylpyrazol-4-ol?
The InChIKey is OWLDWURZSCPFCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-5-7-8-10-12(15)11(9(3)6-2)14(4)13-10/h9,15H,5-8H2,1-4H3.
What are the key properties of 5-butan-2-yl-3-butyl-1-methylpyrazol-4-ol?
5-butan-2-yl-3-butyl-1-methylpyrazol-4-ol has a molecular weight of 210.32 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-3-butyl-1-methylpyrazol-4-ol is sourced from PubChem (CID 166083008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).