3-(1-methylpyrazol-4-yl)propan-1-ol

C7H12N2O — CID 18801405

IUPAC3-(1-methylpyrazol-4-yl)propan-1-ol
SMILESCn1cc(CCCO)cn1
InChIInChI=1S/C7H12N2O/c1-9-6-7(5-8-9)3-2-4-10/h5-6,10H,2-4H2,1H3
InChIKeyZICNHHFTLCVQCR-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.34
Rot. Bonds3

About 3-(1-methylpyrazol-4-yl)propan-1-ol

3-(1-methylpyrazol-4-yl)propan-1-ol (PubChem CID 18801405) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 3-(1-methylpyrazol-4-yl)propan-1-ol.

Molecular Properties

Compound Name3-(1-methylpyrazol-4-yl)propan-1-ol
PubChem CID18801405
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name3-(1-methylpyrazol-4-yl)propan-1-ol
SMILESCn1cc(CCCO)cn1
InChIInChI=1S/C7H12N2O/c1-9-6-7(5-8-9)3-2-4-10/h5-6,10H,2-4H2,1H3
InChIKeyZICNHHFTLCVQCR-UHFFFAOYSA-N
XLogP0.34
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrazol-4-yl)propan-1-ol?
The IUPAC name of 3-(1-methylpyrazol-4-yl)propan-1-ol (CID 18801405) is 3-(1-methylpyrazol-4-yl)propan-1-ol.
What is the SMILES notation for 3-(1-methylpyrazol-4-yl)propan-1-ol?
The canonical SMILES for 3-(1-methylpyrazol-4-yl)propan-1-ol is Cn1cc(CCCO)cn1.
What is the InChIKey of 3-(1-methylpyrazol-4-yl)propan-1-ol?
The InChIKey is ZICNHHFTLCVQCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-9-6-7(5-8-9)3-2-4-10/h5-6,10H,2-4H2,1H3.
What are the key properties of 3-(1-methylpyrazol-4-yl)propan-1-ol?
3-(1-methylpyrazol-4-yl)propan-1-ol has a molecular weight of 140.19 g/mol, XLogP of 0.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrazol-4-yl)propan-1-ol is sourced from PubChem (CID 18801405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).