3-methyl-4-pyrazol-1-ylbutan-2-ol

C8H14N2O — CID 142163216

IUPAC3-methyl-4-pyrazol-1-ylbutan-2-ol
SMILESCC(O)C(C)Cn1cccn1
InChIInChI=1S/C8H14N2O/c1-7(8(2)11)6-10-5-3-4-9-10/h3-5,7-8,11H,6H2,1-2H3
InChIKeyQVFMBYHCNQXHCQ-UHFFFAOYSA-N
MW154.21 g/mol
LogP0.90
Rot. Bonds3

About 3-methyl-4-pyrazol-1-ylbutan-2-ol

3-methyl-4-pyrazol-1-ylbutan-2-ol (PubChem CID 142163216) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 3-methyl-4-pyrazol-1-ylbutan-2-ol.

Molecular Properties

Compound Name3-methyl-4-pyrazol-1-ylbutan-2-ol
PubChem CID142163216
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name3-methyl-4-pyrazol-1-ylbutan-2-ol
SMILESCC(O)C(C)Cn1cccn1
InChIInChI=1S/C8H14N2O/c1-7(8(2)11)6-10-5-3-4-9-10/h3-5,7-8,11H,6H2,1-2H3
InChIKeyQVFMBYHCNQXHCQ-UHFFFAOYSA-N
XLogP0.90
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-pyrazol-1-ylbutane-2-thiol
CID 165469811
1-(2-methylpropylamino)-3-pyrazol-1-ylpropan-2-ol
CID 60904302
(2R)-1-methoxy-3-pyrazol-1-ylpropan-2-ol
CID 131206814
1-(1-pyrazol-1-ylpropan-2-ylamino)butan-2-ol
CID 61462811
N-ethyl-1-pyrazol-1-ylpropan-2-amine
CID 43435880
2-(pyrazol-1-ylmethyl)butan-1-ol
CID 142163209
(2S)-1,1,1-trifluoro-3-pyrazol-1-ylpropan-2-ol
CID 124508863
methyl (2R)-2-methyl-3-pyrazol-1-ylpropanoate
CID 42574632
1-(3-methylbutylamino)-3-pyrazol-1-ylpropan-2-ol
CID 60897907
3-hydroxy-2-(1-pyrazol-1-ylpropan-2-ylcarbamoylamino)butanoic acid
CID 61460931
2-methyl-N'-(1-pyrazol-1-ylpropan-2-yl)propanimidamide
CID 63178206
2-methyl-N-propan-2-yl-3-pyrazol-1-ylpropan-1-amine
CID 62448113

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-pyrazol-1-ylbutan-2-ol?
The IUPAC name of 3-methyl-4-pyrazol-1-ylbutan-2-ol (CID 142163216) is 3-methyl-4-pyrazol-1-ylbutan-2-ol.
What is the SMILES notation for 3-methyl-4-pyrazol-1-ylbutan-2-ol?
The canonical SMILES for 3-methyl-4-pyrazol-1-ylbutan-2-ol is CC(O)C(C)Cn1cccn1.
What is the InChIKey of 3-methyl-4-pyrazol-1-ylbutan-2-ol?
The InChIKey is QVFMBYHCNQXHCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-7(8(2)11)6-10-5-3-4-9-10/h3-5,7-8,11H,6H2,1-2H3.
What are the key properties of 3-methyl-4-pyrazol-1-ylbutan-2-ol?
3-methyl-4-pyrazol-1-ylbutan-2-ol has a molecular weight of 154.21 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-pyrazol-1-ylbutan-2-ol is sourced from PubChem (CID 142163216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).