2,7-dimethyl-1-oxo-3,5-diphenyl-N-[2-(trifluoromethyl)phenyl]pyrazolo[4,5-c][1,5,2]diazaphosphinin-1-amine

C25H21F3N5OP — CID 2323942

IUPAC2,7-dimethyl-1-oxo-3,5-diphenyl-N-[2-(trifluoromethyl)phenyl]pyrazolo[4,5-c][1,5,2]diazaphosphinin-1-amine
SMILESCc1nn(-c2ccccc2)c2c1P(=O)(Nc1ccccc1C(F)(F)F)N(C)C(c1ccccc1)=N2
InChIInChI=1S/C25H21F3N5OP/c1-17-22-24(33(30-17)19-13-7-4-8-14-19)29-23(18-11-5-3-6-12-18)32(2)35(22,34)31-21-16-10-9-15-20(21)25(26,27)28/h3-16H,1-2H3,(H,31,34)
InChIKeyJBTIEDRNNNAZSB-UHFFFAOYSA-N
MW495.45 g/mol
LogP6.15
Rot. Bonds4

About 2,7-dimethyl-1-oxo-3,5-diphenyl-N-[2-(trifluoromethyl)phenyl]pyrazolo[4,5-c][1,5,2]diazaphosphinin-1-amine

2,7-dimethyl-1-oxo-3,5-diphenyl-N-[2-(trifluoromethyl)phenyl]pyrazolo[4,5-c][1,5,2]diazaphosphinin-1-amine (PubChem CID 2323942) has the molecular formula C25H21F3N5OP and a molecular weight of 495.45 g/mol. Its IUPAC name is 2,7-dimethyl-1-oxo-3,5-diphenyl-N-[2-(trifluoromethyl)phenyl]pyrazolo[4,5-c][1,5,2]diazaphosphinin-1-amine.

Molecular Properties

Compound Name2,7-dimethyl-1-oxo-3,5-diphenyl-N-[2-(trifluoromethyl)phenyl]pyrazolo[4,5-c][1,5,2]diazaphosphinin-1-amine
PubChem CID2323942
Molecular FormulaC25H21F3N5OP
Molecular Weight495.45 g/mol
Exact Mass495.14
IUPAC Name2,7-dimethyl-1-oxo-3,5-diphenyl-N-[2-(trifluoromethyl)phenyl]pyrazolo[4,5-c][1,5,2]diazaphosphinin-1-amine
SMILESCc1nn(-c2ccccc2)c2c1P(=O)(Nc1ccccc1C(F)(F)F)N(C)C(c1ccccc1)=N2
InChIInChI=1S/C25H21F3N5OP/c1-17-22-24(33(30-17)19-13-7-4-8-14-19)29-23(18-11-5-3-6-12-18)32(2)35(22,34)31-21-16-10-9-15-20(21)25(26,27)28/h3-16H,1-2H3,(H,31,34)
InChIKeyJBTIEDRNNNAZSB-UHFFFAOYSA-N
XLogP6.15
TPSA62.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.45
LogP ≤ 56.15
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
3-Methyl-1-[2-(trifluoromethyl)phenyl]-1H-pyrazol-5-amine
CID 2334902
N-methyl-N'-(3-methyl-1-phenyl-1H-pyrazol-5-yl)benzenecarboximidamide
CID 2322839
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
3-(4-aminophenyl)-1-(2-methylphenyl)-1H-pyrazol-5-amine
CID 778714
1-(2-methylphenyl)-3-phenyl-1H-pyrazol-5-amine
CID 12049974
1-(2-Phenylphenyl)-3-[3-phenyl-1-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]urea
CID 44359310
1-(2-Methylphenyl)-3-[3-phenyl-1-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]urea
CID 44359323
N-(1,3-diphenylpyrazol-5-yl)-N'-methylpropanimidamide
CID 52940872
N-(1,3-diphenylpyrazol-5-yl)-N'-methylethanimidamide
CID 52945700
1-(3,4-Difluorophenyl)-3-(1,3-diphenylpyrazol-5-yl)urea
CID 71812409

Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-1-oxo-3,5-diphenyl-N-[2-(trifluoromethyl)phenyl]pyrazolo[4,5-c][1,5,2]diazaphosphinin-1-amine?
The IUPAC name of 2,7-dimethyl-1-oxo-3,5-diphenyl-N-[2-(trifluoromethyl)phenyl]pyrazolo[4,5-c][1,5,2]diazaphosphinin-1-amine (CID 2323942) is 2,7-dimethyl-1-oxo-3,5-diphenyl-N-[2-(trifluoromethyl)phenyl]pyrazolo[4,5-c][1,5,2]diazaphosphinin-1-amine.
What is the SMILES notation for 2,7-dimethyl-1-oxo-3,5-diphenyl-N-[2-(trifluoromethyl)phenyl]pyrazolo[4,5-c][1,5,2]diazaphosphinin-1-amine?
The canonical SMILES for 2,7-dimethyl-1-oxo-3,5-diphenyl-N-[2-(trifluoromethyl)phenyl]pyrazolo[4,5-c][1,5,2]diazaphosphinin-1-amine is Cc1nn(-c2ccccc2)c2c1P(=O)(Nc1ccccc1C(F)(F)F)N(C)C(c1ccccc1)=N2.
What is the InChIKey of 2,7-dimethyl-1-oxo-3,5-diphenyl-N-[2-(trifluoromethyl)phenyl]pyrazolo[4,5-c][1,5,2]diazaphosphinin-1-amine?
The InChIKey is JBTIEDRNNNAZSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F3N5OP/c1-17-22-24(33(30-17)19-13-7-4-8-14-19)29-23(18-11-5-3-6-12-18)32(2)35(22,34)31-21-16-10-9-15-20(21)25(26,27)28/h3-16H,1-2H3,(H,31,34).
What are the key properties of 2,7-dimethyl-1-oxo-3,5-diphenyl-N-[2-(trifluoromethyl)phenyl]pyrazolo[4,5-c][1,5,2]diazaphosphinin-1-amine?
2,7-dimethyl-1-oxo-3,5-diphenyl-N-[2-(trifluoromethyl)phenyl]pyrazolo[4,5-c][1,5,2]diazaphosphinin-1-amine has a molecular weight of 495.45 g/mol, XLogP of 6.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyl-1-oxo-3,5-diphenyl-N-[2-(trifluoromethyl)phenyl]pyrazolo[4,5-c][1,5,2]diazaphosphinin-1-amine is sourced from PubChem (CID 2323942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).