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

C8H14N2O — CID 59693997

IUPAC2-methyl-1-(1-methylpyrazol-3-yl)propan-1-ol
SMILESCC(C)C(O)c1ccn(C)n1
InChIInChI=1S/C8H14N2O/c1-6(2)8(11)7-4-5-10(3)9-7/h4-6,8,11H,1-3H3
InChIKeyIHLHURXZSXNMKX-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.11
Rot. Bonds2

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

2-methyl-1-(1-methylpyrazol-3-yl)propan-1-ol (PubChem CID 59693997) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 2-methyl-1-(1-methylpyrazol-3-yl)propan-1-ol.

Molecular Properties

Compound Name2-methyl-1-(1-methylpyrazol-3-yl)propan-1-ol
PubChem CID59693997
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name2-methyl-1-(1-methylpyrazol-3-yl)propan-1-ol
SMILESCC(C)C(O)c1ccn(C)n1
InChIInChI=1S/C8H14N2O/c1-6(2)8(11)7-4-5-10(3)9-7/h4-6,8,11H,1-3H3
InChIKeyIHLHURXZSXNMKX-UHFFFAOYSA-N
XLogP1.11
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 ≤ 51.11
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-3-yl)propan-1-ol?
The IUPAC name of 2-methyl-1-(1-methylpyrazol-3-yl)propan-1-ol (CID 59693997) is 2-methyl-1-(1-methylpyrazol-3-yl)propan-1-ol.
What is the SMILES notation for 2-methyl-1-(1-methylpyrazol-3-yl)propan-1-ol?
The canonical SMILES for 2-methyl-1-(1-methylpyrazol-3-yl)propan-1-ol is CC(C)C(O)c1ccn(C)n1.
What is the InChIKey of 2-methyl-1-(1-methylpyrazol-3-yl)propan-1-ol?
The InChIKey is IHLHURXZSXNMKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-6(2)8(11)7-4-5-10(3)9-7/h4-6,8,11H,1-3H3.
What are the key properties of 2-methyl-1-(1-methylpyrazol-3-yl)propan-1-ol?
2-methyl-1-(1-methylpyrazol-3-yl)propan-1-ol has a molecular weight of 154.21 g/mol, XLogP of 1.11, 2 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-3-yl)propan-1-ol is sourced from PubChem (CID 59693997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).