4-(1-methylpyrazol-3-yl)butan-2-ol

C8H14N2O — CID 82875953

IUPAC4-(1-methylpyrazol-3-yl)butan-2-ol
SMILESCC(O)CCc1ccn(C)n1
InChIInChI=1S/C8H14N2O/c1-7(11)3-4-8-5-6-10(2)9-8/h5-7,11H,3-4H2,1-2H3
InChIKeyQKHQOMZVDNQCNL-UHFFFAOYSA-N
MW154.21 g/mol
LogP0.73
Rot. Bonds3

About 4-(1-methylpyrazol-3-yl)butan-2-ol

4-(1-methylpyrazol-3-yl)butan-2-ol (PubChem CID 82875953) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 4-(1-methylpyrazol-3-yl)butan-2-ol.

Molecular Properties

Compound Name4-(1-methylpyrazol-3-yl)butan-2-ol
PubChem CID82875953
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name4-(1-methylpyrazol-3-yl)butan-2-ol
SMILESCC(O)CCc1ccn(C)n1
InChIInChI=1S/C8H14N2O/c1-7(11)3-4-8-5-6-10(2)9-8/h5-7,11H,3-4H2,1-2H3
InChIKeyQKHQOMZVDNQCNL-UHFFFAOYSA-N
XLogP0.73
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 ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-chloro-3-methylbutyl)-1-methylpyrazole
CID 82870525
4-(1-pentan-3-ylpyrazol-3-yl)butan-2-ol
CID 64777271
2-methyl-4-(1-methylpyrazol-3-yl)butanal
CID 82870516
3-(3-chloro-5-methylhexyl)-1-methylpyrazole
CID 82876738
3-(3-bromopentyl)-1-methylpyrazole
CID 82877302
4-methyl-5-(1-methylpyrazol-3-yl)pentan-2-ol
CID 82870755
1-(1-methylpyrazol-3-yl)heptan-4-ol
CID 82872149
1-(1-methylpyrazol-3-yl)hexan-3-amine
CID 82869047
1-cyclopropyl-4-(1-methylpyrazol-3-yl)butan-1-ol
CID 82870522
N-tert-butyl-2-methyl-4-(1-methylpyrazol-3-yl)butan-1-amine
CID 82870521
4-methyl-1-(1-methylpyrazol-3-yl)-N-propylpentan-3-amine
CID 82870384
3-(3-bromo-3-phenylpropyl)-1-methylpyrazole
CID 82877004

Frequently Asked Questions

What is the IUPAC name of 4-(1-methylpyrazol-3-yl)butan-2-ol?
The IUPAC name of 4-(1-methylpyrazol-3-yl)butan-2-ol (CID 82875953) is 4-(1-methylpyrazol-3-yl)butan-2-ol.
What is the SMILES notation for 4-(1-methylpyrazol-3-yl)butan-2-ol?
The canonical SMILES for 4-(1-methylpyrazol-3-yl)butan-2-ol is CC(O)CCc1ccn(C)n1.
What is the InChIKey of 4-(1-methylpyrazol-3-yl)butan-2-ol?
The InChIKey is QKHQOMZVDNQCNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-7(11)3-4-8-5-6-10(2)9-8/h5-7,11H,3-4H2,1-2H3.
What are the key properties of 4-(1-methylpyrazol-3-yl)butan-2-ol?
4-(1-methylpyrazol-3-yl)butan-2-ol has a molecular weight of 154.21 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylpyrazol-3-yl)butan-2-ol is sourced from PubChem (CID 82875953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).