2-(5-methyl-1H-pyrazol-3-yl)propan-1-ol

C7H12N2O — CID 118928978

IUPAC2-(5-methyl-1H-pyrazol-3-yl)propan-1-ol
SMILESCc1cc(C(C)CO)n[nH]1
InChIInChI=1S/C7H12N2O/c1-5(4-10)7-3-6(2)8-9-7/h3,5,10H,4H2,1-2H3,(H,8,9)
InChIKeyBRFUSNABKXYRJR-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.81
Rot. Bonds2

About 2-(5-methyl-1H-pyrazol-3-yl)propan-1-ol

2-(5-methyl-1H-pyrazol-3-yl)propan-1-ol (PubChem CID 118928978) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 2-(5-methyl-1H-pyrazol-3-yl)propan-1-ol.

Molecular Properties

Compound Name2-(5-methyl-1H-pyrazol-3-yl)propan-1-ol
PubChem CID118928978
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name2-(5-methyl-1H-pyrazol-3-yl)propan-1-ol
SMILESCc1cc(C(C)CO)n[nH]1
InChIInChI=1S/C7H12N2O/c1-5(4-10)7-3-6(2)8-9-7/h3,5,10H,4H2,1-2H3,(H,8,9)
InChIKeyBRFUSNABKXYRJR-UHFFFAOYSA-N
XLogP0.81
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1H-pyrazol-3-yl)propan-1-ol?
The IUPAC name of 2-(5-methyl-1H-pyrazol-3-yl)propan-1-ol (CID 118928978) is 2-(5-methyl-1H-pyrazol-3-yl)propan-1-ol.
What is the SMILES notation for 2-(5-methyl-1H-pyrazol-3-yl)propan-1-ol?
The canonical SMILES for 2-(5-methyl-1H-pyrazol-3-yl)propan-1-ol is Cc1cc(C(C)CO)n[nH]1.
What is the InChIKey of 2-(5-methyl-1H-pyrazol-3-yl)propan-1-ol?
The InChIKey is BRFUSNABKXYRJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-5(4-10)7-3-6(2)8-9-7/h3,5,10H,4H2,1-2H3,(H,8,9).
What are the key properties of 2-(5-methyl-1H-pyrazol-3-yl)propan-1-ol?
2-(5-methyl-1H-pyrazol-3-yl)propan-1-ol has a molecular weight of 140.19 g/mol, XLogP of 0.81, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1H-pyrazol-3-yl)propan-1-ol is sourced from PubChem (CID 118928978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).