2-methyl-3-phosphanyl-1H-pyrazol-5-one

C4H7N2OP — CID 144512964

IUPAC2-methyl-3-phosphanyl-1H-pyrazol-5-one
SMILESCn1[nH]c(=O)cc1P
InChIInChI=1S/C4H7N2OP/c1-6-4(8)2-3(7)5-6/h2H,8H2,1H3,(H,5,7)
InChIKeyAZMKIONNMLOVHH-UHFFFAOYSA-N
MW130.09 g/mol
LogP-0.79
Rot. Bonds

About 2-methyl-3-phosphanyl-1H-pyrazol-5-one

2-methyl-3-phosphanyl-1H-pyrazol-5-one (PubChem CID 144512964) has the molecular formula C4H7N2OP and a molecular weight of 130.09 g/mol. Its IUPAC name is 2-methyl-3-phosphanyl-1H-pyrazol-5-one.

Molecular Properties

Compound Name2-methyl-3-phosphanyl-1H-pyrazol-5-one
PubChem CID144512964
Molecular FormulaC4H7N2OP
Molecular Weight130.09 g/mol
Exact Mass130.03
IUPAC Name2-methyl-3-phosphanyl-1H-pyrazol-5-one
SMILESCn1[nH]c(=O)cc1P
InChIInChI=1S/C4H7N2OP/c1-6-4(8)2-3(7)5-6/h2H,8H2,1H3,(H,5,7)
InChIKeyAZMKIONNMLOVHH-UHFFFAOYSA-N
XLogP-0.79
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.09
LogP ≤ 5-0.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-phosphanyl-1H-pyrazol-5-one?
The IUPAC name of 2-methyl-3-phosphanyl-1H-pyrazol-5-one (CID 144512964) is 2-methyl-3-phosphanyl-1H-pyrazol-5-one.
What is the SMILES notation for 2-methyl-3-phosphanyl-1H-pyrazol-5-one?
The canonical SMILES for 2-methyl-3-phosphanyl-1H-pyrazol-5-one is Cn1[nH]c(=O)cc1P.
What is the InChIKey of 2-methyl-3-phosphanyl-1H-pyrazol-5-one?
The InChIKey is AZMKIONNMLOVHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N2OP/c1-6-4(8)2-3(7)5-6/h2H,8H2,1H3,(H,5,7).
What are the key properties of 2-methyl-3-phosphanyl-1H-pyrazol-5-one?
2-methyl-3-phosphanyl-1H-pyrazol-5-one has a molecular weight of 130.09 g/mol, XLogP of -0.79, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-phosphanyl-1H-pyrazol-5-one is sourced from PubChem (CID 144512964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).