2-hydroxy-1-(2-propylpyrazol-3-yl)propan-1-one

C9H14N2O2 — CID 103451384

IUPAC2-hydroxy-1-(2-propylpyrazol-3-yl)propan-1-one
SMILESCCCn1nccc1C(=O)C(C)O
InChIInChI=1S/C9H14N2O2/c1-3-6-11-8(4-5-10-11)9(13)7(2)12/h4-5,7,12H,3,6H2,1-2H3
InChIKeyMFJYIZFAFIWMMK-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.86
Rot. Bonds4

About 2-hydroxy-1-(2-propylpyrazol-3-yl)propan-1-one

2-hydroxy-1-(2-propylpyrazol-3-yl)propan-1-one (PubChem CID 103451384) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 2-hydroxy-1-(2-propylpyrazol-3-yl)propan-1-one.

Molecular Properties

Compound Name2-hydroxy-1-(2-propylpyrazol-3-yl)propan-1-one
PubChem CID103451384
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name2-hydroxy-1-(2-propylpyrazol-3-yl)propan-1-one
SMILESCCCn1nccc1C(=O)C(C)O
InChIInChI=1S/C9H14N2O2/c1-3-6-11-8(4-5-10-11)9(13)7(2)12/h4-5,7,12H,3,6H2,1-2H3
InChIKeyMFJYIZFAFIWMMK-UHFFFAOYSA-N
XLogP0.86
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-(2-propylpyrazol-3-yl)propan-1-one
CID 116551709
3-amino-2-methyl-1-(2-propylpyrazol-3-yl)butan-1-one
CID 116612216
3-(ethylamino)-2-methyl-1-(2-propylpyrazol-3-yl)propan-1-one
CID 116565240
3-methyl-4-oxo-4-(2-propylpyrazol-3-yl)butanenitrile
CID 114556724
2-propylpyrazole-3-carboxylic acid
CID 7017775
2-(aminomethyl)-4-methyl-1-(2-propylpyrazol-3-yl)pentan-1-one
CID 116597901
2-ethoxy-1-(2-propylpyrazol-3-yl)butan-1-one
CID 116707677
3-methyl-2-phenyl-1-(2-propylpyrazol-3-yl)pentan-1-one
CID 114972283
N-(2-methylpropyl)-2-propylpyrazole-3-carboxamide
CID 35522331
2-amino-4-methoxy-1-(2-propylpyrazol-3-yl)butan-1-one
CID 116567267
(E)-1-(2-propylpyrazol-3-yl)but-2-en-1-one
CID 103453337
2-ethyl-2-hydroxy-1-(2-propylpyrazol-3-yl)butan-1-one
CID 103447030

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-(2-propylpyrazol-3-yl)propan-1-one?
The IUPAC name of 2-hydroxy-1-(2-propylpyrazol-3-yl)propan-1-one (CID 103451384) is 2-hydroxy-1-(2-propylpyrazol-3-yl)propan-1-one.
What is the SMILES notation for 2-hydroxy-1-(2-propylpyrazol-3-yl)propan-1-one?
The canonical SMILES for 2-hydroxy-1-(2-propylpyrazol-3-yl)propan-1-one is CCCn1nccc1C(=O)C(C)O.
What is the InChIKey of 2-hydroxy-1-(2-propylpyrazol-3-yl)propan-1-one?
The InChIKey is MFJYIZFAFIWMMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-3-6-11-8(4-5-10-11)9(13)7(2)12/h4-5,7,12H,3,6H2,1-2H3.
What are the key properties of 2-hydroxy-1-(2-propylpyrazol-3-yl)propan-1-one?
2-hydroxy-1-(2-propylpyrazol-3-yl)propan-1-one has a molecular weight of 182.22 g/mol, XLogP of 0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-(2-propylpyrazol-3-yl)propan-1-one is sourced from PubChem (CID 103451384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).