2-methyl-1-(2-methylpyrazol-3-yl)pentan-1-ol

C10H18N2O — CID 63960739

IUPAC2-methyl-1-(2-methylpyrazol-3-yl)pentan-1-ol
SMILESCCCC(C)C(O)c1ccnn1C
InChIInChI=1S/C10H18N2O/c1-4-5-8(2)10(13)9-6-7-11-12(9)3/h6-8,10,13H,4-5H2,1-3H3
InChIKeyATNBSLZISJWDFE-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.89
Rot. Bonds4

About 2-methyl-1-(2-methylpyrazol-3-yl)pentan-1-ol

2-methyl-1-(2-methylpyrazol-3-yl)pentan-1-ol (PubChem CID 63960739) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 2-methyl-1-(2-methylpyrazol-3-yl)pentan-1-ol.

Molecular Properties

Compound Name2-methyl-1-(2-methylpyrazol-3-yl)pentan-1-ol
PubChem CID63960739
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name2-methyl-1-(2-methylpyrazol-3-yl)pentan-1-ol
SMILESCCCC(C)C(O)c1ccnn1C
InChIInChI=1S/C10H18N2O/c1-4-5-8(2)10(13)9-6-7-11-12(9)3/h6-8,10,13H,4-5H2,1-3H3
InChIKeyATNBSLZISJWDFE-UHFFFAOYSA-N
XLogP1.89
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methylpyrazol-3-yl)pentan-1-ol?
The IUPAC name of 2-methyl-1-(2-methylpyrazol-3-yl)pentan-1-ol (CID 63960739) is 2-methyl-1-(2-methylpyrazol-3-yl)pentan-1-ol.
What is the SMILES notation for 2-methyl-1-(2-methylpyrazol-3-yl)pentan-1-ol?
The canonical SMILES for 2-methyl-1-(2-methylpyrazol-3-yl)pentan-1-ol is CCCC(C)C(O)c1ccnn1C.
What is the InChIKey of 2-methyl-1-(2-methylpyrazol-3-yl)pentan-1-ol?
The InChIKey is ATNBSLZISJWDFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-4-5-8(2)10(13)9-6-7-11-12(9)3/h6-8,10,13H,4-5H2,1-3H3.
What are the key properties of 2-methyl-1-(2-methylpyrazol-3-yl)pentan-1-ol?
2-methyl-1-(2-methylpyrazol-3-yl)pentan-1-ol has a molecular weight of 182.27 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methylpyrazol-3-yl)pentan-1-ol is sourced from PubChem (CID 63960739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).