2-propyl-1H-pyrazol-5-one

C6H10N2O — CID 69379491

IUPAC2-propyl-1H-pyrazol-5-one
SMILESCCCn1ccc(=O)[nH]1
InChIInChI=1S/C6H10N2O/c1-2-4-8-5-3-6(9)7-8/h3,5H,2,4H2,1H3,(H,7,9)
InChIKeyRERVBTFJKXKUPC-UHFFFAOYSA-N
MW126.16 g/mol
LogP0.59
Rot. Bonds2

About 2-propyl-1H-pyrazol-5-one

2-propyl-1H-pyrazol-5-one (PubChem CID 69379491) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is 2-propyl-1H-pyrazol-5-one.

Molecular Properties

Compound Name2-propyl-1H-pyrazol-5-one
PubChem CID69379491
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Name2-propyl-1H-pyrazol-5-one
SMILESCCCn1ccc(=O)[nH]1
InChIInChI=1S/C6H10N2O/c1-2-4-8-5-3-6(9)7-8/h3,5H,2,4H2,1H3,(H,7,9)
InChIKeyRERVBTFJKXKUPC-UHFFFAOYSA-N
XLogP0.59
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-propyl-1H-pyrazol-5-one?
The IUPAC name of 2-propyl-1H-pyrazol-5-one (CID 69379491) is 2-propyl-1H-pyrazol-5-one.
What is the SMILES notation for 2-propyl-1H-pyrazol-5-one?
The canonical SMILES for 2-propyl-1H-pyrazol-5-one is CCCn1ccc(=O)[nH]1.
What is the InChIKey of 2-propyl-1H-pyrazol-5-one?
The InChIKey is RERVBTFJKXKUPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O/c1-2-4-8-5-3-6(9)7-8/h3,5H,2,4H2,1H3,(H,7,9).
What are the key properties of 2-propyl-1H-pyrazol-5-one?
2-propyl-1H-pyrazol-5-one has a molecular weight of 126.16 g/mol, XLogP of 0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-1H-pyrazol-5-one is sourced from PubChem (CID 69379491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).