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

C9H16N2O — CID 23006051

IUPAC3-(1-ethyl-3-methylpyrazol-4-yl)propan-1-ol
SMILESCCn1cc(CCCO)c(C)n1
InChIInChI=1S/C9H16N2O/c1-3-11-7-9(5-4-6-12)8(2)10-11/h7,12H,3-6H2,1-2H3
InChIKeyRIDDOUWWEHJWOT-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.14
Rot. Bonds4

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

3-(1-ethyl-3-methylpyrazol-4-yl)propan-1-ol (PubChem CID 23006051) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 3-(1-ethyl-3-methylpyrazol-4-yl)propan-1-ol.

Molecular Properties

Compound Name3-(1-ethyl-3-methylpyrazol-4-yl)propan-1-ol
PubChem CID23006051
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name3-(1-ethyl-3-methylpyrazol-4-yl)propan-1-ol
SMILESCCn1cc(CCCO)c(C)n1
InChIInChI=1S/C9H16N2O/c1-3-11-7-9(5-4-6-12)8(2)10-11/h7,12H,3-6H2,1-2H3
InChIKeyRIDDOUWWEHJWOT-UHFFFAOYSA-N
XLogP1.14
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-ethyl-3-methylpyrazol-4-yl)propan-1-ol?
The IUPAC name of 3-(1-ethyl-3-methylpyrazol-4-yl)propan-1-ol (CID 23006051) is 3-(1-ethyl-3-methylpyrazol-4-yl)propan-1-ol.
What is the SMILES notation for 3-(1-ethyl-3-methylpyrazol-4-yl)propan-1-ol?
The canonical SMILES for 3-(1-ethyl-3-methylpyrazol-4-yl)propan-1-ol is CCn1cc(CCCO)c(C)n1.
What is the InChIKey of 3-(1-ethyl-3-methylpyrazol-4-yl)propan-1-ol?
The InChIKey is RIDDOUWWEHJWOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-3-11-7-9(5-4-6-12)8(2)10-11/h7,12H,3-6H2,1-2H3.
What are the key properties of 3-(1-ethyl-3-methylpyrazol-4-yl)propan-1-ol?
3-(1-ethyl-3-methylpyrazol-4-yl)propan-1-ol has a molecular weight of 168.24 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethyl-3-methylpyrazol-4-yl)propan-1-ol is sourced from PubChem (CID 23006051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).