2-(3-ethyl-1-methylpyrazol-4-yl)propan-1-ol

C9H16N2O — CID 170048436

IUPAC2-(3-ethyl-1-methylpyrazol-4-yl)propan-1-ol
SMILESCCc1nn(C)cc1C(C)CO
InChIInChI=1S/C9H16N2O/c1-4-9-8(7(2)6-12)5-11(3)10-9/h5,7,12H,4,6H2,1-3H3
InChIKeyBPPASKIOXVWYEF-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.08
Rot. Bonds3

About 2-(3-ethyl-1-methylpyrazol-4-yl)propan-1-ol

2-(3-ethyl-1-methylpyrazol-4-yl)propan-1-ol (PubChem CID 170048436) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-(3-ethyl-1-methylpyrazol-4-yl)propan-1-ol.

Molecular Properties

Compound Name2-(3-ethyl-1-methylpyrazol-4-yl)propan-1-ol
PubChem CID170048436
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name2-(3-ethyl-1-methylpyrazol-4-yl)propan-1-ol
SMILESCCc1nn(C)cc1C(C)CO
InChIInChI=1S/C9H16N2O/c1-4-9-8(7(2)6-12)5-11(3)10-9/h5,7,12H,4,6H2,1-3H3
InChIKeyBPPASKIOXVWYEF-UHFFFAOYSA-N
XLogP1.08
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-1-methylpyrazol-4-yl)propan-1-ol?
The IUPAC name of 2-(3-ethyl-1-methylpyrazol-4-yl)propan-1-ol (CID 170048436) is 2-(3-ethyl-1-methylpyrazol-4-yl)propan-1-ol.
What is the SMILES notation for 2-(3-ethyl-1-methylpyrazol-4-yl)propan-1-ol?
The canonical SMILES for 2-(3-ethyl-1-methylpyrazol-4-yl)propan-1-ol is CCc1nn(C)cc1C(C)CO.
What is the InChIKey of 2-(3-ethyl-1-methylpyrazol-4-yl)propan-1-ol?
The InChIKey is BPPASKIOXVWYEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-4-9-8(7(2)6-12)5-11(3)10-9/h5,7,12H,4,6H2,1-3H3.
What are the key properties of 2-(3-ethyl-1-methylpyrazol-4-yl)propan-1-ol?
2-(3-ethyl-1-methylpyrazol-4-yl)propan-1-ol has a molecular weight of 168.24 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-1-methylpyrazol-4-yl)propan-1-ol is sourced from PubChem (CID 170048436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).