(3,4-diphenyl-1H-pyrazol-5-yl)-(3-nitrophenyl)methanone

C22H15N3O3 — CID 135065441

IUPAC(3,4-diphenyl-1H-pyrazol-5-yl)-(3-nitrophenyl)methanone
SMILESO=C(c1cccc([N+](=O)[O-])c1)c1[nH]nc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C22H15N3O3/c26-22(17-12-7-13-18(14-17)25(27)28)21-19(15-8-3-1-4-9-15)20(23-24-21)16-10-5-2-6-11-16/h1-14H,(H,23,24)
InChIKeyFGVRQHQRHOIAOP-UHFFFAOYSA-N
MW369.38 g/mol
LogP4.88
Rot. Bonds5

About (3,4-diphenyl-1H-pyrazol-5-yl)-(3-nitrophenyl)methanone

(3,4-diphenyl-1H-pyrazol-5-yl)-(3-nitrophenyl)methanone (PubChem CID 135065441) has the molecular formula C22H15N3O3 and a molecular weight of 369.38 g/mol. Its IUPAC name is (3,4-diphenyl-1H-pyrazol-5-yl)-(3-nitrophenyl)methanone.

Molecular Properties

Compound Name(3,4-diphenyl-1H-pyrazol-5-yl)-(3-nitrophenyl)methanone
PubChem CID135065441
Molecular FormulaC22H15N3O3
Molecular Weight369.38 g/mol
Exact Mass369.11
IUPAC Name(3,4-diphenyl-1H-pyrazol-5-yl)-(3-nitrophenyl)methanone
SMILESO=C(c1cccc([N+](=O)[O-])c1)c1[nH]nc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C22H15N3O3/c26-22(17-12-7-13-18(14-17)25(27)28)21-19(15-8-3-1-4-9-15)20(23-24-21)16-10-5-2-6-11-16/h1-14H,(H,23,24)
InChIKeyFGVRQHQRHOIAOP-UHFFFAOYSA-N
XLogP4.88
TPSA88.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(5-benzoyl-3-phenyl-1H-pyrazol-4-yl)-phenylmethanone
CID 171985656
4-bromo-3-(3-nitrophenyl)-1H-pyrazole-5-carboxylic acid
CID 91902603
[6-(3-nitrobenzoyl)-2-pyridinyl]-(3-nitrophenyl)methanone
CID 86047194
1,1'-biphenyl;1,3-dinitrobenzene
CID 174540087
(3-nitrophenyl)-phenylmethanone;thiourea
CID 174541528
bis[2-(3-nitrophenyl)-4-pyridinyl]methanone
CID 141011336
4-(3-nitrobenzoyl)benzoic acid
CID 803392
N-(6-nitro-1,3-benzothiazol-2-yl)-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide
CID 108791006
2-(3-nitrophenyl)-1-phenylprop-2-en-1-one
CID 134965880
(3,4-dinitrophenyl)-(3-nitrophenyl)methanone
CID 3092902
4-(3-nitrobenzoyl)-2-phenylpyrimidine-5-carboxylic acid
CID 10450464
4-[5-methyl-3-(3-nitrophenyl)-1H-pyrazol-4-yl]pyridine
CID 22037254

Frequently Asked Questions

What is the IUPAC name of (3,4-diphenyl-1H-pyrazol-5-yl)-(3-nitrophenyl)methanone?
The IUPAC name of (3,4-diphenyl-1H-pyrazol-5-yl)-(3-nitrophenyl)methanone (CID 135065441) is (3,4-diphenyl-1H-pyrazol-5-yl)-(3-nitrophenyl)methanone.
What is the SMILES notation for (3,4-diphenyl-1H-pyrazol-5-yl)-(3-nitrophenyl)methanone?
The canonical SMILES for (3,4-diphenyl-1H-pyrazol-5-yl)-(3-nitrophenyl)methanone is O=C(c1cccc([N+](=O)[O-])c1)c1[nH]nc(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of (3,4-diphenyl-1H-pyrazol-5-yl)-(3-nitrophenyl)methanone?
The InChIKey is FGVRQHQRHOIAOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N3O3/c26-22(17-12-7-13-18(14-17)25(27)28)21-19(15-8-3-1-4-9-15)20(23-24-21)16-10-5-2-6-11-16/h1-14H,(H,23,24).
What are the key properties of (3,4-diphenyl-1H-pyrazol-5-yl)-(3-nitrophenyl)methanone?
(3,4-diphenyl-1H-pyrazol-5-yl)-(3-nitrophenyl)methanone has a molecular weight of 369.38 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-diphenyl-1H-pyrazol-5-yl)-(3-nitrophenyl)methanone is sourced from PubChem (CID 135065441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).