1-(4-hydroxy-5-methyl-1-propylpyrazol-3-yl)ethanone

C9H14N2O2 — CID 67026257

IUPAC1-(4-hydroxy-5-methyl-1-propylpyrazol-3-yl)ethanone
SMILESCCCn1nc(C(C)=O)c(O)c1C
InChIInChI=1S/C9H14N2O2/c1-4-5-11-6(2)9(13)8(10-11)7(3)12/h13H,4-5H2,1-3H3
InChIKeyUFWOWIDZKXFAOT-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.51
Rot. Bonds3

About 1-(4-hydroxy-5-methyl-1-propylpyrazol-3-yl)ethanone

1-(4-hydroxy-5-methyl-1-propylpyrazol-3-yl)ethanone (PubChem CID 67026257) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 1-(4-hydroxy-5-methyl-1-propylpyrazol-3-yl)ethanone.

Molecular Properties

Compound Name1-(4-hydroxy-5-methyl-1-propylpyrazol-3-yl)ethanone
PubChem CID67026257
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name1-(4-hydroxy-5-methyl-1-propylpyrazol-3-yl)ethanone
SMILESCCCn1nc(C(C)=O)c(O)c1C
InChIInChI=1S/C9H14N2O2/c1-4-5-11-6(2)9(13)8(10-11)7(3)12/h13H,4-5H2,1-3H3
InChIKeyUFWOWIDZKXFAOT-UHFFFAOYSA-N
XLogP1.51
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-5-methyl-1-propylpyrazol-3-yl)ethanone?
The IUPAC name of 1-(4-hydroxy-5-methyl-1-propylpyrazol-3-yl)ethanone (CID 67026257) is 1-(4-hydroxy-5-methyl-1-propylpyrazol-3-yl)ethanone.
What is the SMILES notation for 1-(4-hydroxy-5-methyl-1-propylpyrazol-3-yl)ethanone?
The canonical SMILES for 1-(4-hydroxy-5-methyl-1-propylpyrazol-3-yl)ethanone is CCCn1nc(C(C)=O)c(O)c1C.
What is the InChIKey of 1-(4-hydroxy-5-methyl-1-propylpyrazol-3-yl)ethanone?
The InChIKey is UFWOWIDZKXFAOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-4-5-11-6(2)9(13)8(10-11)7(3)12/h13H,4-5H2,1-3H3.
What are the key properties of 1-(4-hydroxy-5-methyl-1-propylpyrazol-3-yl)ethanone?
1-(4-hydroxy-5-methyl-1-propylpyrazol-3-yl)ethanone has a molecular weight of 182.22 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-5-methyl-1-propylpyrazol-3-yl)ethanone is sourced from PubChem (CID 67026257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).