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

C9H16N2O — CID 61088216

IUPAC2-methyl-1-(1-methylpyrazol-4-yl)butan-1-ol
SMILESCCC(C)C(O)c1cnn(C)c1
InChIInChI=1S/C9H16N2O/c1-4-7(2)9(12)8-5-10-11(3)6-8/h5-7,9,12H,4H2,1-3H3
InChIKeyKAWASFDMOXQOTH-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.50
Rot. Bonds3

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

2-methyl-1-(1-methylpyrazol-4-yl)butan-1-ol (PubChem CID 61088216) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-methyl-1-(1-methylpyrazol-4-yl)butan-1-ol.

Molecular Properties

Compound Name2-methyl-1-(1-methylpyrazol-4-yl)butan-1-ol
PubChem CID61088216
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name2-methyl-1-(1-methylpyrazol-4-yl)butan-1-ol
SMILESCCC(C)C(O)c1cnn(C)c1
InChIInChI=1S/C9H16N2O/c1-4-7(2)9(12)8-5-10-11(3)6-8/h5-7,9,12H,4H2,1-3H3
InChIKeyKAWASFDMOXQOTH-UHFFFAOYSA-N
XLogP1.50
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(1-methylpyrazol-4-yl)butan-1-ol?
The IUPAC name of 2-methyl-1-(1-methylpyrazol-4-yl)butan-1-ol (CID 61088216) is 2-methyl-1-(1-methylpyrazol-4-yl)butan-1-ol.
What is the SMILES notation for 2-methyl-1-(1-methylpyrazol-4-yl)butan-1-ol?
The canonical SMILES for 2-methyl-1-(1-methylpyrazol-4-yl)butan-1-ol is CCC(C)C(O)c1cnn(C)c1.
What is the InChIKey of 2-methyl-1-(1-methylpyrazol-4-yl)butan-1-ol?
The InChIKey is KAWASFDMOXQOTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-4-7(2)9(12)8-5-10-11(3)6-8/h5-7,9,12H,4H2,1-3H3.
What are the key properties of 2-methyl-1-(1-methylpyrazol-4-yl)butan-1-ol?
2-methyl-1-(1-methylpyrazol-4-yl)butan-1-ol has a molecular weight of 168.24 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(1-methylpyrazol-4-yl)butan-1-ol is sourced from PubChem (CID 61088216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).