3-(2-fluorophenyl)-2,7-dimethyl-1-oxido-5-phenylpyrazolo[4,5-c][1,5,2]diazaphosphinine 1-oxide

C18H15FN4O2P- — CID 2324542

IUPAC3-(2-fluorophenyl)-2,7-dimethyl-1-oxido-5-phenylpyrazolo[4,5-c][1,5,2]diazaphosphinine 1-oxide
SMILESCc1nn(-c2ccccc2)c2c1P(=O)([O-])N(C)C(c1ccccc1F)=N2
InChIInChI=1S/C18H16FN4O2P/c1-12-16-18(23(21-12)13-8-4-3-5-9-13)20-17(22(2)26(16,24)25)14-10-6-7-11-15(14)19/h3-11H,1-2H3,(H,24,25)/p-1
InChIKeyMPZRTTVTQDUSKS-UHFFFAOYSA-M
MW369.32 g/mol
LogP2.52
Rot. Bonds2

About 3-(2-fluorophenyl)-2,7-dimethyl-1-oxido-5-phenylpyrazolo[4,5-c][1,5,2]diazaphosphinine 1-oxide

3-(2-fluorophenyl)-2,7-dimethyl-1-oxido-5-phenylpyrazolo[4,5-c][1,5,2]diazaphosphinine 1-oxide (PubChem CID 2324542) has the molecular formula C18H15FN4O2P- and a molecular weight of 369.32 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-2,7-dimethyl-1-oxido-5-phenylpyrazolo[4,5-c][1,5,2]diazaphosphinine 1-oxide.

Molecular Properties

Compound Name3-(2-fluorophenyl)-2,7-dimethyl-1-oxido-5-phenylpyrazolo[4,5-c][1,5,2]diazaphosphinine 1-oxide
PubChem CID2324542
Molecular FormulaC18H15FN4O2P-
Molecular Weight369.32 g/mol
Exact Mass369.09
IUPAC Name3-(2-fluorophenyl)-2,7-dimethyl-1-oxido-5-phenylpyrazolo[4,5-c][1,5,2]diazaphosphinine 1-oxide
SMILESCc1nn(-c2ccccc2)c2c1P(=O)([O-])N(C)C(c1ccccc1F)=N2
InChIInChI=1S/C18H16FN4O2P/c1-12-16-18(23(21-12)13-8-4-3-5-9-13)20-17(22(2)26(16,24)25)14-10-6-7-11-15(14)19/h3-11H,1-2H3,(H,24,25)/p-1
InChIKeyMPZRTTVTQDUSKS-UHFFFAOYSA-M
XLogP2.52
TPSA73.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.32
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-N-methyl-N'-(3-methyl-1-phenyl-1H-pyrazol-5-yl)benzene-1-carboximidamide
CID 2322836
2-fluoro-N'-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)benzenecarboximidamide
CID 3550085
3-(4-Fluorophenyl)-1-phenyl-1H-pyrazol-5-amine
CID 3352034
2,7-dimethyl-1-(morpholin-4-yl)-3,5-diphenyl-2,5-dihydro-1H-1l5-pyrazolo[4,3-c][1,5,2]diazaphosphinin-1-one
CID 2323948
1-(4-fluorophenyl)-3-phenyl-1H-pyrazol-5-amine
CID 4391150
4-(2,7-Dimethyl-3,5-diphenyl-1-sulfanylidenepyrazolo[4,5-c][1,5,2]diazaphosphinin-1-yl)morpholine
CID 2322845
3-(4-Fluorophenyl)-1-(4-methylphenyl)-1H-pyrazol-5-amine
CID 4171410
N,N-diethyl-3-(4-fluorophenyl)-7-methyl-1-oxo-5-phenylpyrazolo[4,5-c][1,5,2]oxazaphosphinin-1-amine
CID 2310717
(E)-1-(4-fluorophenyl)-N-(5-methyl-2-phenylpyrazol-3-yl)methanimine
CID 9572410
(E)-N-(3-tert-butyl-1-phenylpyrazol-5-yl)-1-(4-fluorophenyl)methanimine
CID 50906072
2-Cyclopropyl-1-methoxy-7-methyl-3,5-diphenyl-1-sulfanylidenepyrazolo[4,5-c][1,5,2]diazaphosphinine
CID 2324483
N'-(1,3-diphenylpyrazol-5-yl)-N,N-dimethylethanimidamide
CID 52940944

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-2,7-dimethyl-1-oxido-5-phenylpyrazolo[4,5-c][1,5,2]diazaphosphinine 1-oxide?
The IUPAC name of 3-(2-fluorophenyl)-2,7-dimethyl-1-oxido-5-phenylpyrazolo[4,5-c][1,5,2]diazaphosphinine 1-oxide (CID 2324542) is 3-(2-fluorophenyl)-2,7-dimethyl-1-oxido-5-phenylpyrazolo[4,5-c][1,5,2]diazaphosphinine 1-oxide.
What is the SMILES notation for 3-(2-fluorophenyl)-2,7-dimethyl-1-oxido-5-phenylpyrazolo[4,5-c][1,5,2]diazaphosphinine 1-oxide?
The canonical SMILES for 3-(2-fluorophenyl)-2,7-dimethyl-1-oxido-5-phenylpyrazolo[4,5-c][1,5,2]diazaphosphinine 1-oxide is Cc1nn(-c2ccccc2)c2c1P(=O)([O-])N(C)C(c1ccccc1F)=N2.
What is the InChIKey of 3-(2-fluorophenyl)-2,7-dimethyl-1-oxido-5-phenylpyrazolo[4,5-c][1,5,2]diazaphosphinine 1-oxide?
The InChIKey is MPZRTTVTQDUSKS-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H16FN4O2P/c1-12-16-18(23(21-12)13-8-4-3-5-9-13)20-17(22(2)26(16,24)25)14-10-6-7-11-15(14)19/h3-11H,1-2H3,(H,24,25)/p-1.
What are the key properties of 3-(2-fluorophenyl)-2,7-dimethyl-1-oxido-5-phenylpyrazolo[4,5-c][1,5,2]diazaphosphinine 1-oxide?
3-(2-fluorophenyl)-2,7-dimethyl-1-oxido-5-phenylpyrazolo[4,5-c][1,5,2]diazaphosphinine 1-oxide has a molecular weight of 369.32 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-2,7-dimethyl-1-oxido-5-phenylpyrazolo[4,5-c][1,5,2]diazaphosphinine 1-oxide is sourced from PubChem (CID 2324542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).