1-methyl-5-(2-methylpropyl)pyrazol-4-ol

C8H14N2O — CID 105430134

IUPAC1-methyl-5-(2-methylpropyl)pyrazol-4-ol
SMILESCC(C)Cc1c(O)cnn1C
InChIInChI=1S/C8H14N2O/c1-6(2)4-7-8(11)5-9-10(7)3/h5-6,11H,4H2,1-3H3
InChIKeyPJPIUJXVSNTGKM-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.32
Rot. Bonds2

About 1-methyl-5-(2-methylpropyl)pyrazol-4-ol

1-methyl-5-(2-methylpropyl)pyrazol-4-ol (PubChem CID 105430134) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 1-methyl-5-(2-methylpropyl)pyrazol-4-ol.

Molecular Properties

Compound Name1-methyl-5-(2-methylpropyl)pyrazol-4-ol
PubChem CID105430134
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name1-methyl-5-(2-methylpropyl)pyrazol-4-ol
SMILESCC(C)Cc1c(O)cnn1C
InChIInChI=1S/C8H14N2O/c1-6(2)4-7-8(11)5-9-10(7)3/h5-6,11H,4H2,1-3H3
InChIKeyPJPIUJXVSNTGKM-UHFFFAOYSA-N
XLogP1.32
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(2-methylpropyl)pyrazol-4-ol?
The IUPAC name of 1-methyl-5-(2-methylpropyl)pyrazol-4-ol (CID 105430134) is 1-methyl-5-(2-methylpropyl)pyrazol-4-ol.
What is the SMILES notation for 1-methyl-5-(2-methylpropyl)pyrazol-4-ol?
The canonical SMILES for 1-methyl-5-(2-methylpropyl)pyrazol-4-ol is CC(C)Cc1c(O)cnn1C.
What is the InChIKey of 1-methyl-5-(2-methylpropyl)pyrazol-4-ol?
The InChIKey is PJPIUJXVSNTGKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-6(2)4-7-8(11)5-9-10(7)3/h5-6,11H,4H2,1-3H3.
What are the key properties of 1-methyl-5-(2-methylpropyl)pyrazol-4-ol?
1-methyl-5-(2-methylpropyl)pyrazol-4-ol has a molecular weight of 154.21 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(2-methylpropyl)pyrazol-4-ol is sourced from PubChem (CID 105430134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).