[6-(1H-pyrazol-4-yl)-3-pyridinyl]methylphosphonic acid

C9H10N3O3P — CID 118963702

IUPAC[6-(1H-pyrazol-4-yl)-3-pyridinyl]methylphosphonic acid
SMILESO=P(O)(O)Cc1ccc(-c2cn[nH]c2)nc1
InChIInChI=1S/C9H10N3O3P/c13-16(14,15)6-7-1-2-9(10-3-7)8-4-11-12-5-8/h1-5H,6H2,(H,11,12)(H2,13,14,15)
InChIKeyAAKZKHLAZZAYGW-UHFFFAOYSA-N
MW239.17 g/mol
LogP1.15
Rot. Bonds3

About [6-(1H-pyrazol-4-yl)-3-pyridinyl]methylphosphonic acid

[6-(1H-pyrazol-4-yl)-3-pyridinyl]methylphosphonic acid (PubChem CID 118963702) has the molecular formula C9H10N3O3P and a molecular weight of 239.17 g/mol. Its IUPAC name is [6-(1H-pyrazol-4-yl)-3-pyridinyl]methylphosphonic acid.

Molecular Properties

Compound Name[6-(1H-pyrazol-4-yl)-3-pyridinyl]methylphosphonic acid
PubChem CID118963702
Molecular FormulaC9H10N3O3P
Molecular Weight239.17 g/mol
Exact Mass239.05
IUPAC Name[6-(1H-pyrazol-4-yl)-3-pyridinyl]methylphosphonic acid
SMILESO=P(O)(O)Cc1ccc(-c2cn[nH]c2)nc1
InChIInChI=1S/C9H10N3O3P/c13-16(14,15)6-7-1-2-9(10-3-7)8-4-11-12-5-8/h1-5H,6H2,(H,11,12)(H2,13,14,15)
InChIKeyAAKZKHLAZZAYGW-UHFFFAOYSA-N
XLogP1.15
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.17
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 6-(1H-pyrazol-4-yl)pyridine-3-carboxylate
CID 126673838
4-(1H-pyrazol-4-yl)-1H-pyrazole
CID 2422340
[4-[[4-[5-[1-[[4-(phosphonomethyl)phenyl]methyl]pyridin-1-ium-4-yl]-2-pyridinyl]pyridin-1-ium-1-yl]methyl]phenyl]methylphosphonic acid dibromide
CID 159591586
5-(imidazol-1-ylmethyl)-2-[4-(1H-pyrazol-4-yl)phenyl]pyridine
CID 155918504
[6-(1H-pyrazol-4-yl)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 3931667
(3-hydroxy-2-methylazetidin-1-yl)-[2-[[6-(1H-pyrazol-4-yl)-3-pyridinyl]methyl]-1,3-oxazol-4-yl]methanone
CID 176989357
2-phenyl-5-[2-[3-[2-(6-phenyl-3-pyridinyl)phenyl]-5-[2-(1H-pyrazol-4-yl)phenyl]phenyl]phenyl]pyridine
CID 139298727
N-[[4-(1-hydroxyethyl)phenyl]methyl]-5-(1H-pyrazol-4-yl)pyridine-2-carboxamide
CID 167973392
2-(4-propan-2-ylphenyl)-N-[(1R)-1-[5-(1H-pyrazol-4-yl)-2-pyridinyl]ethyl]acetamide
CID 24764921
[4-(1H-pyrazol-4-yl)phenyl] N-[(4-methylphenyl)methyl]carbamate
CID 68564151
4-(1H-pyrazol-4-yl)pyridine-2-carboxylic acid
CID 82404796
N-ethyl-4-(1H-pyrazol-4-yl)benzamide
CID 110464248

Frequently Asked Questions

What is the IUPAC name of [6-(1H-pyrazol-4-yl)-3-pyridinyl]methylphosphonic acid?
The IUPAC name of [6-(1H-pyrazol-4-yl)-3-pyridinyl]methylphosphonic acid (CID 118963702) is [6-(1H-pyrazol-4-yl)-3-pyridinyl]methylphosphonic acid.
What is the SMILES notation for [6-(1H-pyrazol-4-yl)-3-pyridinyl]methylphosphonic acid?
The canonical SMILES for [6-(1H-pyrazol-4-yl)-3-pyridinyl]methylphosphonic acid is O=P(O)(O)Cc1ccc(-c2cn[nH]c2)nc1.
What is the InChIKey of [6-(1H-pyrazol-4-yl)-3-pyridinyl]methylphosphonic acid?
The InChIKey is AAKZKHLAZZAYGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N3O3P/c13-16(14,15)6-7-1-2-9(10-3-7)8-4-11-12-5-8/h1-5H,6H2,(H,11,12)(H2,13,14,15).
What are the key properties of [6-(1H-pyrazol-4-yl)-3-pyridinyl]methylphosphonic acid?
[6-(1H-pyrazol-4-yl)-3-pyridinyl]methylphosphonic acid has a molecular weight of 239.17 g/mol, XLogP of 1.15, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(1H-pyrazol-4-yl)-3-pyridinyl]methylphosphonic acid is sourced from PubChem (CID 118963702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).