5-[bis(deuteriomethoxy)phosphoryl]-1H-pyrazol-4-ol

C5H9N2O4P — CID 91181881

IUPAC5-[bis(deuteriomethoxy)phosphoryl]-1H-pyrazol-4-ol
SMILES[2H]COP(=O)(OC[2H])c1[nH]ncc1O
InChIInChI=1S/C5H9N2O4P/c1-10-12(9,11-2)5-4(8)3-6-7-5/h3,8H,1-2H3,(H,6,7)/i1D,2D
InChIKeyROQMSKSGWJXDJR-QDNHWIQGSA-N
MW194.12 g/mol
LogP0.23
Rot. Bonds5

About 5-[bis(deuteriomethoxy)phosphoryl]-1H-pyrazol-4-ol

5-[bis(deuteriomethoxy)phosphoryl]-1H-pyrazol-4-ol (PubChem CID 91181881) has the molecular formula C5H9N2O4P and a molecular weight of 194.12 g/mol. Its IUPAC name is 5-[bis(deuteriomethoxy)phosphoryl]-1H-pyrazol-4-ol.

Molecular Properties

Compound Name5-[bis(deuteriomethoxy)phosphoryl]-1H-pyrazol-4-ol
PubChem CID91181881
Molecular FormulaC5H9N2O4P
Molecular Weight194.12 g/mol
Exact Mass194.04
IUPAC Name5-[bis(deuteriomethoxy)phosphoryl]-1H-pyrazol-4-ol
SMILES[2H]COP(=O)(OC[2H])c1[nH]ncc1O
InChIInChI=1S/C5H9N2O4P/c1-10-12(9,11-2)5-4(8)3-6-7-5/h3,8H,1-2H3,(H,6,7)/i1D,2D
InChIKeyROQMSKSGWJXDJR-QDNHWIQGSA-N
XLogP0.23
TPSA84.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.12
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[bis(deuteriomethoxy)phosphoryl]-1H-pyrazol-4-ol?
The IUPAC name of 5-[bis(deuteriomethoxy)phosphoryl]-1H-pyrazol-4-ol (CID 91181881) is 5-[bis(deuteriomethoxy)phosphoryl]-1H-pyrazol-4-ol.
What is the SMILES notation for 5-[bis(deuteriomethoxy)phosphoryl]-1H-pyrazol-4-ol?
The canonical SMILES for 5-[bis(deuteriomethoxy)phosphoryl]-1H-pyrazol-4-ol is [2H]COP(=O)(OC[2H])c1[nH]ncc1O.
What is the InChIKey of 5-[bis(deuteriomethoxy)phosphoryl]-1H-pyrazol-4-ol?
The InChIKey is ROQMSKSGWJXDJR-QDNHWIQGSA-N. The full InChI is InChI=1S/C5H9N2O4P/c1-10-12(9,11-2)5-4(8)3-6-7-5/h3,8H,1-2H3,(H,6,7)/i1D,2D.
What are the key properties of 5-[bis(deuteriomethoxy)phosphoryl]-1H-pyrazol-4-ol?
5-[bis(deuteriomethoxy)phosphoryl]-1H-pyrazol-4-ol has a molecular weight of 194.12 g/mol, XLogP of 0.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[bis(deuteriomethoxy)phosphoryl]-1H-pyrazol-4-ol is sourced from PubChem (CID 91181881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).