N-(3,4-dimethylphenyl)-3-(2-fluorophenyl)-2,7-dimethyl-1-oxo-5-phenylpyrazolo[4,5-c][1,5,2]diazaphosphinin-1-amine

C26H25FN5OP — CID 2323963

IUPACN-(3,4-dimethylphenyl)-3-(2-fluorophenyl)-2,7-dimethyl-1-oxo-5-phenylpyrazolo[4,5-c][1,5,2]diazaphosphinin-1-amine
SMILESCc1ccc(NP2(=O)c3c(C)nn(-c4ccccc4)c3N=C(c3ccccc3F)N2C)cc1C
InChIInChI=1S/C26H25FN5OP/c1-17-14-15-20(16-18(17)2)30-34(33)24-19(3)29-32(21-10-6-5-7-11-21)26(24)28-25(31(34)4)22-12-8-9-13-23(22)27/h5-16H,1-4H3,(H,30,33)
InChIKeyJHPAEOWDJBWQOJ-UHFFFAOYSA-N
MW473.49 g/mol
LogP5.89
Rot. Bonds4

About N-(3,4-dimethylphenyl)-3-(2-fluorophenyl)-2,7-dimethyl-1-oxo-5-phenylpyrazolo[4,5-c][1,5,2]diazaphosphinin-1-amine

N-(3,4-dimethylphenyl)-3-(2-fluorophenyl)-2,7-dimethyl-1-oxo-5-phenylpyrazolo[4,5-c][1,5,2]diazaphosphinin-1-amine (PubChem CID 2323963) has the molecular formula C26H25FN5OP and a molecular weight of 473.49 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-3-(2-fluorophenyl)-2,7-dimethyl-1-oxo-5-phenylpyrazolo[4,5-c][1,5,2]diazaphosphinin-1-amine.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-3-(2-fluorophenyl)-2,7-dimethyl-1-oxo-5-phenylpyrazolo[4,5-c][1,5,2]diazaphosphinin-1-amine
PubChem CID2323963
Molecular FormulaC26H25FN5OP
Molecular Weight473.49 g/mol
Exact Mass473.18
IUPAC NameN-(3,4-dimethylphenyl)-3-(2-fluorophenyl)-2,7-dimethyl-1-oxo-5-phenylpyrazolo[4,5-c][1,5,2]diazaphosphinin-1-amine
SMILESCc1ccc(NP2(=O)c3c(C)nn(-c4ccccc4)c3N=C(c3ccccc3F)N2C)cc1C
InChIInChI=1S/C26H25FN5OP/c1-17-14-15-20(16-18(17)2)30-34(33)24-19(3)29-32(21-10-6-5-7-11-21)26(24)28-25(31(34)4)22-12-8-9-13-23(22)27/h5-16H,1-4H3,(H,30,33)
InChIKeyJHPAEOWDJBWQOJ-UHFFFAOYSA-N
XLogP5.89
TPSA62.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.49
LogP ≤ 55.89
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
5-(4-Amino-phenyl)-2-p-tolyl-2H-pyrazol-3-ylamine
CID 786192
2-fluoro-N'-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)benzenecarboximidamide
CID 3550085
5-Methyl-2-naphthalen-2-ylpyrazol-3-amine
CID 2312630
3-Methyl-4-(naphthalen-2-yldiazenyl)-1-phenylpyrazol-5-amine
CID 3577468
N-[4-(dimethylamino)benzylidene]-N-(1,3-diphenyl-1H-pyrazol-5-yl)amine
CID 9600136
3-(4-Fluorophenyl)-1-(4-methylphenyl)-1H-pyrazol-5-amine
CID 4171410
5-[(3,4-dimethylanilino)methyl]-3-(4-fluorophenyl)-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one
CID 135418052
5-{[(3,4-Dimethylphenyl)amino]methyl}-3-(3-fluorophenyl)-1-phenyl-7H-pyrazolo[3,4-B]pyridin-6-one
CID 135418090
1-(4-Fluorophenyl)-3-(2-methylphenyl)-1H-pyrazol-5-amine
CID 3535713
1-(2-Fluorophenyl)-3-(2-methylphenyl)-1H-pyrazol-5-amine
CID 4079128
3-(2-methylphenyl)-1-(4-methylphenyl)-1H-pyrazol-5-amine
CID 5129860

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-3-(2-fluorophenyl)-2,7-dimethyl-1-oxo-5-phenylpyrazolo[4,5-c][1,5,2]diazaphosphinin-1-amine?
The IUPAC name of N-(3,4-dimethylphenyl)-3-(2-fluorophenyl)-2,7-dimethyl-1-oxo-5-phenylpyrazolo[4,5-c][1,5,2]diazaphosphinin-1-amine (CID 2323963) is N-(3,4-dimethylphenyl)-3-(2-fluorophenyl)-2,7-dimethyl-1-oxo-5-phenylpyrazolo[4,5-c][1,5,2]diazaphosphinin-1-amine.
What is the SMILES notation for N-(3,4-dimethylphenyl)-3-(2-fluorophenyl)-2,7-dimethyl-1-oxo-5-phenylpyrazolo[4,5-c][1,5,2]diazaphosphinin-1-amine?
The canonical SMILES for N-(3,4-dimethylphenyl)-3-(2-fluorophenyl)-2,7-dimethyl-1-oxo-5-phenylpyrazolo[4,5-c][1,5,2]diazaphosphinin-1-amine is Cc1ccc(NP2(=O)c3c(C)nn(-c4ccccc4)c3N=C(c3ccccc3F)N2C)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-3-(2-fluorophenyl)-2,7-dimethyl-1-oxo-5-phenylpyrazolo[4,5-c][1,5,2]diazaphosphinin-1-amine?
The InChIKey is JHPAEOWDJBWQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN5OP/c1-17-14-15-20(16-18(17)2)30-34(33)24-19(3)29-32(21-10-6-5-7-11-21)26(24)28-25(31(34)4)22-12-8-9-13-23(22)27/h5-16H,1-4H3,(H,30,33).
What are the key properties of N-(3,4-dimethylphenyl)-3-(2-fluorophenyl)-2,7-dimethyl-1-oxo-5-phenylpyrazolo[4,5-c][1,5,2]diazaphosphinin-1-amine?
N-(3,4-dimethylphenyl)-3-(2-fluorophenyl)-2,7-dimethyl-1-oxo-5-phenylpyrazolo[4,5-c][1,5,2]diazaphosphinin-1-amine has a molecular weight of 473.49 g/mol, XLogP of 5.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-3-(2-fluorophenyl)-2,7-dimethyl-1-oxo-5-phenylpyrazolo[4,5-c][1,5,2]diazaphosphinin-1-amine is sourced from PubChem (CID 2323963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).