1-(3,5-dimethyl-1H-pyrazol-4-yl)propan-1-ol

C8H14N2O — CID 62732040

IUPAC1-(3,5-dimethyl-1H-pyrazol-4-yl)propan-1-ol
SMILESCCC(O)c1c(C)n[nH]c1C
InChIInChI=1S/C8H14N2O/c1-4-7(11)8-5(2)9-10-6(8)3/h7,11H,4H2,1-3H3,(H,9,10)
InChIKeyOMLPTPZEKZDWPJ-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.47
Rot. Bonds2

About 1-(3,5-dimethyl-1H-pyrazol-4-yl)propan-1-ol

1-(3,5-dimethyl-1H-pyrazol-4-yl)propan-1-ol (PubChem CID 62732040) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 1-(3,5-dimethyl-1H-pyrazol-4-yl)propan-1-ol.

Molecular Properties

Compound Name1-(3,5-dimethyl-1H-pyrazol-4-yl)propan-1-ol
PubChem CID62732040
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name1-(3,5-dimethyl-1H-pyrazol-4-yl)propan-1-ol
SMILESCCC(O)c1c(C)n[nH]c1C
InChIInChI=1S/C8H14N2O/c1-4-7(11)8-5(2)9-10-6(8)3/h7,11H,4H2,1-3H3,(H,9,10)
InChIKeyOMLPTPZEKZDWPJ-UHFFFAOYSA-N
XLogP1.47
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethyl-1H-pyrazol-4-yl)propan-1-ol?
The IUPAC name of 1-(3,5-dimethyl-1H-pyrazol-4-yl)propan-1-ol (CID 62732040) is 1-(3,5-dimethyl-1H-pyrazol-4-yl)propan-1-ol.
What is the SMILES notation for 1-(3,5-dimethyl-1H-pyrazol-4-yl)propan-1-ol?
The canonical SMILES for 1-(3,5-dimethyl-1H-pyrazol-4-yl)propan-1-ol is CCC(O)c1c(C)n[nH]c1C.
What is the InChIKey of 1-(3,5-dimethyl-1H-pyrazol-4-yl)propan-1-ol?
The InChIKey is OMLPTPZEKZDWPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-4-7(11)8-5(2)9-10-6(8)3/h7,11H,4H2,1-3H3,(H,9,10).
What are the key properties of 1-(3,5-dimethyl-1H-pyrazol-4-yl)propan-1-ol?
1-(3,5-dimethyl-1H-pyrazol-4-yl)propan-1-ol has a molecular weight of 154.21 g/mol, XLogP of 1.47, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethyl-1H-pyrazol-4-yl)propan-1-ol is sourced from PubChem (CID 62732040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).