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

C18H16FN4O2P — CID 2324543

IUPAC3-(2-fluorophenyl)-1-hydroxy-2,7-dimethyl-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)
InChIKeyMPZRTTVTQDUSKS-UHFFFAOYSA-N
MW370.32 g/mol
LogP3.15
Rot. Bonds2

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

3-(2-fluorophenyl)-1-hydroxy-2,7-dimethyl-5-phenylpyrazolo[4,5-c][1,5,2]diazaphosphinine 1-oxide (PubChem CID 2324543) has the molecular formula C18H16FN4O2P and a molecular weight of 370.32 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-1-hydroxy-2,7-dimethyl-5-phenylpyrazolo[4,5-c][1,5,2]diazaphosphinine 1-oxide.

Molecular Properties

Compound Name3-(2-fluorophenyl)-1-hydroxy-2,7-dimethyl-5-phenylpyrazolo[4,5-c][1,5,2]diazaphosphinine 1-oxide
PubChem CID2324543
Molecular FormulaC18H16FN4O2P
Molecular Weight370.32 g/mol
Exact Mass370.10
IUPAC Name3-(2-fluorophenyl)-1-hydroxy-2,7-dimethyl-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)
InChIKeyMPZRTTVTQDUSKS-UHFFFAOYSA-N
XLogP3.15
TPSA70.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.32
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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
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
(5Z)-4-hydroxy-3-methyl-1-phenyl-5-(1,3,3-trimethylindol-2-ylidene)pyrazolo[5,4-b][1,4]azaphosphinine 4-oxide
CID 2323007
4-(2,7-Dimethyl-3,5-diphenyl-1-sulfanylidenepyrazolo[4,5-c][1,5,2]diazaphosphinin-1-yl)morpholine
CID 2322845
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
(5E)-4-hydroxy-3-methyl-1-phenyl-5-(1,3,3-trimethylindol-2-ylidene)pyrazolo[5,4-b][1,4]azaphosphinine 4-oxide
CID 2323006
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
N'-(1,3-diphenylpyrazol-5-yl)-N,N-dimethylbenzenecarboximidamide
CID 52942147

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-1-hydroxy-2,7-dimethyl-5-phenylpyrazolo[4,5-c][1,5,2]diazaphosphinine 1-oxide?
The IUPAC name of 3-(2-fluorophenyl)-1-hydroxy-2,7-dimethyl-5-phenylpyrazolo[4,5-c][1,5,2]diazaphosphinine 1-oxide (CID 2324543) is 3-(2-fluorophenyl)-1-hydroxy-2,7-dimethyl-5-phenylpyrazolo[4,5-c][1,5,2]diazaphosphinine 1-oxide.
What is the SMILES notation for 3-(2-fluorophenyl)-1-hydroxy-2,7-dimethyl-5-phenylpyrazolo[4,5-c][1,5,2]diazaphosphinine 1-oxide?
The canonical SMILES for 3-(2-fluorophenyl)-1-hydroxy-2,7-dimethyl-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)-1-hydroxy-2,7-dimethyl-5-phenylpyrazolo[4,5-c][1,5,2]diazaphosphinine 1-oxide?
The InChIKey is MPZRTTVTQDUSKS-UHFFFAOYSA-N. 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).
What are the key properties of 3-(2-fluorophenyl)-1-hydroxy-2,7-dimethyl-5-phenylpyrazolo[4,5-c][1,5,2]diazaphosphinine 1-oxide?
3-(2-fluorophenyl)-1-hydroxy-2,7-dimethyl-5-phenylpyrazolo[4,5-c][1,5,2]diazaphosphinine 1-oxide has a molecular weight of 370.32 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-1-hydroxy-2,7-dimethyl-5-phenylpyrazolo[4,5-c][1,5,2]diazaphosphinine 1-oxide is sourced from PubChem (CID 2324543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).