2-[(1-butan-2-ylpyrazol-3-yl)methyl]-3,3-dimethylbutan-1-ol

C14H26N2O — CID 83139654

IUPAC2-[(1-butan-2-ylpyrazol-3-yl)methyl]-3,3-dimethylbutan-1-ol
SMILESCCC(C)n1ccc(CC(CO)C(C)(C)C)n1
InChIInChI=1S/C14H26N2O/c1-6-11(2)16-8-7-13(15-16)9-12(10-17)14(3,4)5/h7-8,11-12,17H,6,9-10H2,1-5H3
InChIKeyIJCCBLJZSNJMOH-UHFFFAOYSA-N
MW238.37 g/mol
LogP3.05
Rot. Bonds5

About 2-[(1-butan-2-ylpyrazol-3-yl)methyl]-3,3-dimethylbutan-1-ol

2-[(1-butan-2-ylpyrazol-3-yl)methyl]-3,3-dimethylbutan-1-ol (PubChem CID 83139654) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 2-[(1-butan-2-ylpyrazol-3-yl)methyl]-3,3-dimethylbutan-1-ol.

Molecular Properties

Compound Name2-[(1-butan-2-ylpyrazol-3-yl)methyl]-3,3-dimethylbutan-1-ol
PubChem CID83139654
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name2-[(1-butan-2-ylpyrazol-3-yl)methyl]-3,3-dimethylbutan-1-ol
SMILESCCC(C)n1ccc(CC(CO)C(C)(C)C)n1
InChIInChI=1S/C14H26N2O/c1-6-11(2)16-8-7-13(15-16)9-12(10-17)14(3,4)5/h7-8,11-12,17H,6,9-10H2,1-5H3
InChIKeyIJCCBLJZSNJMOH-UHFFFAOYSA-N
XLogP3.05
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-butan-2-ylpyrazol-3-yl)methyl]-N-ethyl-3,3-dimethylbutan-1-amine
CID 83139112
2-[(1-butan-2-ylpyrazol-3-yl)methyl]-3,3-dimethyl-N-propylbutan-1-amine
CID 83139603
1-(1-butan-2-ylpyrazol-3-yl)-3,3-dimethyl-N-propylbutan-2-amine
CID 64777425
2-(1-butan-2-ylpyrazol-3-yl)-1-(5-methylthiophen-2-yl)ethanol
CID 64785041
2-[(1-butan-2-ylpyrazol-3-yl)methyl]-3-methylbutan-1-amine
CID 64778474
3-[(1-butan-2-ylpyrazol-3-yl)methylamino]-4,4-dimethylpentan-1-ol
CID 106349604
1-(1-butan-2-ylpyrazol-3-yl)-2-methylpentan-3-one
CID 64784588
1-(1-butan-2-ylpyrazol-3-yl)-3-methylsulfanylpropan-2-ol
CID 64785469
2-(1-butan-2-ylpyrazol-3-yl)-1-(4-tert-butylthiadiazol-5-yl)ethanol
CID 105103273
2-[(4-bromophenyl)methyl]-3-(1-butan-2-ylpyrazol-3-yl)propan-1-ol
CID 66060549
2-[(1-butan-2-ylpyrazol-3-yl)methyl]-3-(4-chlorophenyl)propan-1-ol
CID 66059463
3-(3-bromo-2-methylpentyl)-1-butan-2-ylpyrazole
CID 64778850

Frequently Asked Questions

What is the IUPAC name of 2-[(1-butan-2-ylpyrazol-3-yl)methyl]-3,3-dimethylbutan-1-ol?
The IUPAC name of 2-[(1-butan-2-ylpyrazol-3-yl)methyl]-3,3-dimethylbutan-1-ol (CID 83139654) is 2-[(1-butan-2-ylpyrazol-3-yl)methyl]-3,3-dimethylbutan-1-ol.
What is the SMILES notation for 2-[(1-butan-2-ylpyrazol-3-yl)methyl]-3,3-dimethylbutan-1-ol?
The canonical SMILES for 2-[(1-butan-2-ylpyrazol-3-yl)methyl]-3,3-dimethylbutan-1-ol is CCC(C)n1ccc(CC(CO)C(C)(C)C)n1.
What is the InChIKey of 2-[(1-butan-2-ylpyrazol-3-yl)methyl]-3,3-dimethylbutan-1-ol?
The InChIKey is IJCCBLJZSNJMOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-6-11(2)16-8-7-13(15-16)9-12(10-17)14(3,4)5/h7-8,11-12,17H,6,9-10H2,1-5H3.
What are the key properties of 2-[(1-butan-2-ylpyrazol-3-yl)methyl]-3,3-dimethylbutan-1-ol?
2-[(1-butan-2-ylpyrazol-3-yl)methyl]-3,3-dimethylbutan-1-ol has a molecular weight of 238.37 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-butan-2-ylpyrazol-3-yl)methyl]-3,3-dimethylbutan-1-ol is sourced from PubChem (CID 83139654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).