[[(4-methyl-1H-pyrazol-5-yl)amino]-phosphonomethyl]phosphonic acid

C5H11N3O6P2 — CID 19992033

IUPAC[[(4-methyl-1H-pyrazol-5-yl)amino]-phosphonomethyl]phosphonic acid
SMILESCc1cn[nH]c1NC(P(=O)(O)O)P(=O)(O)O
InChIInChI=1S/C5H11N3O6P2/c1-3-2-6-8-4(3)7-5(15(9,10)11)16(12,13)14/h2,5H,1H3,(H2,6,7,8)(H2,9,10,11)(H2,12,13,14)
InChIKeyGVEWDPOBUIVOLC-UHFFFAOYSA-N
MW271.11 g/mol
LogP-0.23
Rot. Bonds4

About [[(4-methyl-1H-pyrazol-5-yl)amino]-phosphonomethyl]phosphonic acid

[[(4-methyl-1H-pyrazol-5-yl)amino]-phosphonomethyl]phosphonic acid (PubChem CID 19992033) has the molecular formula C5H11N3O6P2 and a molecular weight of 271.11 g/mol. Its IUPAC name is [[(4-methyl-1H-pyrazol-5-yl)amino]-phosphonomethyl]phosphonic acid.

Molecular Properties

Compound Name[[(4-methyl-1H-pyrazol-5-yl)amino]-phosphonomethyl]phosphonic acid
PubChem CID19992033
Molecular FormulaC5H11N3O6P2
Molecular Weight271.11 g/mol
Exact Mass271.01
IUPAC Name[[(4-methyl-1H-pyrazol-5-yl)amino]-phosphonomethyl]phosphonic acid
SMILESCc1cn[nH]c1NC(P(=O)(O)O)P(=O)(O)O
InChIInChI=1S/C5H11N3O6P2/c1-3-2-6-8-4(3)7-5(15(9,10)11)16(12,13)14/h2,5H,1H3,(H2,6,7,8)(H2,9,10,11)(H2,12,13,14)
InChIKeyGVEWDPOBUIVOLC-UHFFFAOYSA-N
XLogP-0.23
TPSA155.77 Ų
H-Bond Donors6
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500271.11
LogP ≤ 5-0.23
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [[(4-methyl-1H-pyrazol-5-yl)amino]-phosphonomethyl]phosphonic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [[(4-methyl-1H-pyrazol-5-yl)amino]-phosphonomethyl]phosphonic acid?
The IUPAC name of [[(4-methyl-1H-pyrazol-5-yl)amino]-phosphonomethyl]phosphonic acid (CID 19992033) is [[(4-methyl-1H-pyrazol-5-yl)amino]-phosphonomethyl]phosphonic acid.
What is the SMILES notation for [[(4-methyl-1H-pyrazol-5-yl)amino]-phosphonomethyl]phosphonic acid?
The canonical SMILES for [[(4-methyl-1H-pyrazol-5-yl)amino]-phosphonomethyl]phosphonic acid is Cc1cn[nH]c1NC(P(=O)(O)O)P(=O)(O)O.
What is the InChIKey of [[(4-methyl-1H-pyrazol-5-yl)amino]-phosphonomethyl]phosphonic acid?
The InChIKey is GVEWDPOBUIVOLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3O6P2/c1-3-2-6-8-4(3)7-5(15(9,10)11)16(12,13)14/h2,5H,1H3,(H2,6,7,8)(H2,9,10,11)(H2,12,13,14).
What are the key properties of [[(4-methyl-1H-pyrazol-5-yl)amino]-phosphonomethyl]phosphonic acid?
[[(4-methyl-1H-pyrazol-5-yl)amino]-phosphonomethyl]phosphonic acid has a molecular weight of 271.11 g/mol, XLogP of -0.23, 4 rotatable bonds, 6 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [[(4-methyl-1H-pyrazol-5-yl)amino]-phosphonomethyl]phosphonic acid is sourced from PubChem (CID 19992033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).