1-hydroxy-2,7-dimethyl-3,5-diphenylpyrazolo[4,5-c][1,5,2]diazaphosphinine 1-oxide

C18H17N4O2P — CID 4524410

IUPAC1-hydroxy-2,7-dimethyl-3,5-diphenylpyrazolo[4,5-c][1,5,2]diazaphosphinine 1-oxide
SMILESCc1nn(-c2ccccc2)c2c1P(=O)(O)N(C)C(c1ccccc1)=N2
InChIInChI=1S/C18H17N4O2P/c1-13-16-18(22(20-13)15-11-7-4-8-12-15)19-17(21(2)25(16,23)24)14-9-5-3-6-10-14/h3-12H,1-2H3,(H,23,24)
InChIKeyATPCEMORNZGBTQ-UHFFFAOYSA-N
MW352.33 g/mol
LogP3.02
Rot. Bonds2

About 1-hydroxy-2,7-dimethyl-3,5-diphenylpyrazolo[4,5-c][1,5,2]diazaphosphinine 1-oxide

1-hydroxy-2,7-dimethyl-3,5-diphenylpyrazolo[4,5-c][1,5,2]diazaphosphinine 1-oxide (PubChem CID 4524410) has the molecular formula C18H17N4O2P and a molecular weight of 352.33 g/mol. Its IUPAC name is 1-hydroxy-2,7-dimethyl-3,5-diphenylpyrazolo[4,5-c][1,5,2]diazaphosphinine 1-oxide.

Molecular Properties

Compound Name1-hydroxy-2,7-dimethyl-3,5-diphenylpyrazolo[4,5-c][1,5,2]diazaphosphinine 1-oxide
PubChem CID4524410
Molecular FormulaC18H17N4O2P
Molecular Weight352.33 g/mol
Exact Mass352.11
IUPAC Name1-hydroxy-2,7-dimethyl-3,5-diphenylpyrazolo[4,5-c][1,5,2]diazaphosphinine 1-oxide
SMILESCc1nn(-c2ccccc2)c2c1P(=O)(O)N(C)C(c1ccccc1)=N2
InChIInChI=1S/C18H17N4O2P/c1-13-16-18(22(20-13)15-11-7-4-8-12-15)19-17(21(2)25(16,23)24)14-9-5-3-6-10-14/h3-12H,1-2H3,(H,23,24)
InChIKeyATPCEMORNZGBTQ-UHFFFAOYSA-N
XLogP3.02
TPSA70.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.33
LogP ≤ 53.02
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

5-(4-Amino-phenyl)-2-p-tolyl-2H-pyrazol-3-ylamine
CID 786192
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
(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
N-(1,3-diphenylpyrazol-5-yl)-N'-methylmethanimidamide
CID 52942057
N-[4-(dimethylamino)benzylidene]-N-(1,3-diphenyl-1H-pyrazol-5-yl)amine
CID 9600136
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
N-(1,3-diphenylpyrazol-5-yl)-N'-methylpropanimidamide
CID 52940872
N-(1,3-diphenylpyrazol-5-yl)-N'-methylethanimidamide
CID 52945700
N,N-dimethyl-N'-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]methanimidamide
CID 9676475
(E)-1-(4-fluorophenyl)-N-(5-methyl-2-phenylpyrazol-3-yl)methanimine
CID 9572410

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-2,7-dimethyl-3,5-diphenylpyrazolo[4,5-c][1,5,2]diazaphosphinine 1-oxide?
The IUPAC name of 1-hydroxy-2,7-dimethyl-3,5-diphenylpyrazolo[4,5-c][1,5,2]diazaphosphinine 1-oxide (CID 4524410) is 1-hydroxy-2,7-dimethyl-3,5-diphenylpyrazolo[4,5-c][1,5,2]diazaphosphinine 1-oxide.
What is the SMILES notation for 1-hydroxy-2,7-dimethyl-3,5-diphenylpyrazolo[4,5-c][1,5,2]diazaphosphinine 1-oxide?
The canonical SMILES for 1-hydroxy-2,7-dimethyl-3,5-diphenylpyrazolo[4,5-c][1,5,2]diazaphosphinine 1-oxide is Cc1nn(-c2ccccc2)c2c1P(=O)(O)N(C)C(c1ccccc1)=N2.
What is the InChIKey of 1-hydroxy-2,7-dimethyl-3,5-diphenylpyrazolo[4,5-c][1,5,2]diazaphosphinine 1-oxide?
The InChIKey is ATPCEMORNZGBTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N4O2P/c1-13-16-18(22(20-13)15-11-7-4-8-12-15)19-17(21(2)25(16,23)24)14-9-5-3-6-10-14/h3-12H,1-2H3,(H,23,24).
What are the key properties of 1-hydroxy-2,7-dimethyl-3,5-diphenylpyrazolo[4,5-c][1,5,2]diazaphosphinine 1-oxide?
1-hydroxy-2,7-dimethyl-3,5-diphenylpyrazolo[4,5-c][1,5,2]diazaphosphinine 1-oxide has a molecular weight of 352.33 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2,7-dimethyl-3,5-diphenylpyrazolo[4,5-c][1,5,2]diazaphosphinine 1-oxide is sourced from PubChem (CID 4524410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).