[1-methyl-4-(2-methylpropyl)pyrazol-5-yl]methanol

C9H16N2O — CID 105422691

IUPAC[1-methyl-4-(2-methylpropyl)pyrazol-5-yl]methanol
SMILESCC(C)Cc1cnn(C)c1CO
InChIInChI=1S/C9H16N2O/c1-7(2)4-8-5-10-11(3)9(8)6-12/h5,7,12H,4,6H2,1-3H3
InChIKeyJXDYODSLFSGVHQ-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.11
Rot. Bonds3

About [1-methyl-4-(2-methylpropyl)pyrazol-5-yl]methanol

[1-methyl-4-(2-methylpropyl)pyrazol-5-yl]methanol (PubChem CID 105422691) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is [1-methyl-4-(2-methylpropyl)pyrazol-5-yl]methanol.

Molecular Properties

Compound Name[1-methyl-4-(2-methylpropyl)pyrazol-5-yl]methanol
PubChem CID105422691
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name[1-methyl-4-(2-methylpropyl)pyrazol-5-yl]methanol
SMILESCC(C)Cc1cnn(C)c1CO
InChIInChI=1S/C9H16N2O/c1-7(2)4-8-5-10-11(3)9(8)6-12/h5,7,12H,4,6H2,1-3H3
InChIKeyJXDYODSLFSGVHQ-UHFFFAOYSA-N
XLogP1.11
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 ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-methyl-4-(2-methylpropyl)pyrazol-5-yl]methanol?
The IUPAC name of [1-methyl-4-(2-methylpropyl)pyrazol-5-yl]methanol (CID 105422691) is [1-methyl-4-(2-methylpropyl)pyrazol-5-yl]methanol.
What is the SMILES notation for [1-methyl-4-(2-methylpropyl)pyrazol-5-yl]methanol?
The canonical SMILES for [1-methyl-4-(2-methylpropyl)pyrazol-5-yl]methanol is CC(C)Cc1cnn(C)c1CO.
What is the InChIKey of [1-methyl-4-(2-methylpropyl)pyrazol-5-yl]methanol?
The InChIKey is JXDYODSLFSGVHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-7(2)4-8-5-10-11(3)9(8)6-12/h5,7,12H,4,6H2,1-3H3.
What are the key properties of [1-methyl-4-(2-methylpropyl)pyrazol-5-yl]methanol?
[1-methyl-4-(2-methylpropyl)pyrazol-5-yl]methanol has a molecular weight of 168.24 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-4-(2-methylpropyl)pyrazol-5-yl]methanol is sourced from PubChem (CID 105422691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).