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

C25H23FN5OP — CID 2323954

IUPAC3-(2-fluorophenyl)-2,7-dimethyl-N-(2-methylphenyl)-1-oxo-5-phenylpyrazolo[4,5-c][1,5,2]diazaphosphinin-1-amine
SMILESCc1ccccc1NP1(=O)c2c(C)nn(-c3ccccc3)c2N=C(c2ccccc2F)N1C
InChIInChI=1S/C25H23FN5OP/c1-17-11-7-10-16-22(17)29-33(32)23-18(2)28-31(19-12-5-4-6-13-19)25(23)27-24(30(33)3)20-14-8-9-15-21(20)26/h4-16H,1-3H3,(H,29,32)
InChIKeyVYTBVJSSJCZIGR-UHFFFAOYSA-N
MW459.47 g/mol
LogP5.58
Rot. Bonds4

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

3-(2-fluorophenyl)-2,7-dimethyl-N-(2-methylphenyl)-1-oxo-5-phenylpyrazolo[4,5-c][1,5,2]diazaphosphinin-1-amine (PubChem CID 2323954) has the molecular formula C25H23FN5OP and a molecular weight of 459.47 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-2,7-dimethyl-N-(2-methylphenyl)-1-oxo-5-phenylpyrazolo[4,5-c][1,5,2]diazaphosphinin-1-amine.

Molecular Properties

Compound Name3-(2-fluorophenyl)-2,7-dimethyl-N-(2-methylphenyl)-1-oxo-5-phenylpyrazolo[4,5-c][1,5,2]diazaphosphinin-1-amine
PubChem CID2323954
Molecular FormulaC25H23FN5OP
Molecular Weight459.47 g/mol
Exact Mass459.16
IUPAC Name3-(2-fluorophenyl)-2,7-dimethyl-N-(2-methylphenyl)-1-oxo-5-phenylpyrazolo[4,5-c][1,5,2]diazaphosphinin-1-amine
SMILESCc1ccccc1NP1(=O)c2c(C)nn(-c3ccccc3)c2N=C(c2ccccc2F)N1C
InChIInChI=1S/C25H23FN5OP/c1-17-11-7-10-16-22(17)29-33(32)23-18(2)28-31(19-12-5-4-6-13-19)25(23)27-24(30(33)3)20-14-8-9-15-21(20)26/h4-16H,1-3H3,(H,29,32)
InChIKeyVYTBVJSSJCZIGR-UHFFFAOYSA-N
XLogP5.58
TPSA62.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.47
LogP ≤ 55.58
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

1-(4-Fluorophenyl)-3-(4-methylphenyl)-1H-pyrazol-5-amine
CID 1478026
4-fluoro-N-methyl-N'-(3-methyl-1-phenyl-1H-pyrazol-5-yl)benzene-1-carboximidamide
CID 2322836
N'-cyclopropyl-2-fluoro-N-(5-methyl-2-phenylpyrazol-3-yl)benzenecarboximidamide
CID 2323945
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
3-(4-Fluorophenyl)-1-phenyl-1H-pyrazol-5-amine
CID 3352034
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-(4-fluorophenyl)-3-phenyl-1H-pyrazol-5-amine
CID 4391150
N-(1,3-diphenylpyrazol-5-yl)-N'-methylmethanimidamide
CID 52942057
1-biphenyl-2-yl-3-(3-methyl-1-phenyl-1H-pyrazol-5-yl)urea
CID 117967703

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-2,7-dimethyl-N-(2-methylphenyl)-1-oxo-5-phenylpyrazolo[4,5-c][1,5,2]diazaphosphinin-1-amine?
The IUPAC name of 3-(2-fluorophenyl)-2,7-dimethyl-N-(2-methylphenyl)-1-oxo-5-phenylpyrazolo[4,5-c][1,5,2]diazaphosphinin-1-amine (CID 2323954) is 3-(2-fluorophenyl)-2,7-dimethyl-N-(2-methylphenyl)-1-oxo-5-phenylpyrazolo[4,5-c][1,5,2]diazaphosphinin-1-amine.
What is the SMILES notation for 3-(2-fluorophenyl)-2,7-dimethyl-N-(2-methylphenyl)-1-oxo-5-phenylpyrazolo[4,5-c][1,5,2]diazaphosphinin-1-amine?
The canonical SMILES for 3-(2-fluorophenyl)-2,7-dimethyl-N-(2-methylphenyl)-1-oxo-5-phenylpyrazolo[4,5-c][1,5,2]diazaphosphinin-1-amine is Cc1ccccc1NP1(=O)c2c(C)nn(-c3ccccc3)c2N=C(c2ccccc2F)N1C.
What is the InChIKey of 3-(2-fluorophenyl)-2,7-dimethyl-N-(2-methylphenyl)-1-oxo-5-phenylpyrazolo[4,5-c][1,5,2]diazaphosphinin-1-amine?
The InChIKey is VYTBVJSSJCZIGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN5OP/c1-17-11-7-10-16-22(17)29-33(32)23-18(2)28-31(19-12-5-4-6-13-19)25(23)27-24(30(33)3)20-14-8-9-15-21(20)26/h4-16H,1-3H3,(H,29,32).
What are the key properties of 3-(2-fluorophenyl)-2,7-dimethyl-N-(2-methylphenyl)-1-oxo-5-phenylpyrazolo[4,5-c][1,5,2]diazaphosphinin-1-amine?
3-(2-fluorophenyl)-2,7-dimethyl-N-(2-methylphenyl)-1-oxo-5-phenylpyrazolo[4,5-c][1,5,2]diazaphosphinin-1-amine has a molecular weight of 459.47 g/mol, XLogP of 5.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-2,7-dimethyl-N-(2-methylphenyl)-1-oxo-5-phenylpyrazolo[4,5-c][1,5,2]diazaphosphinin-1-amine is sourced from PubChem (CID 2323954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).