5-(4-methoxyphenyl)-3-(4-nitrophenyl)-4,5-dihydro-1H-pyrazole

C16H15N3O3 — CID 626766

IUPAC5-(4-methoxyphenyl)-3-(4-nitrophenyl)-4,5-dihydro-1H-pyrazole
SMILESCOc1ccc(C2CC(c3ccc([N+](=O)[O-])cc3)=NN2)cc1
InChIInChI=1S/C16H15N3O3/c1-22-14-8-4-12(5-9-14)16-10-15(17-18-16)11-2-6-13(7-3-11)19(20)21/h2-9,16,18H,10H2,1H3
InChIKeyRBEXSHMZPHLMFD-UHFFFAOYSA-N
MW297.31 g/mol
LogP3.04
Rot. Bonds4

About 5-(4-methoxyphenyl)-3-(4-nitrophenyl)-4,5-dihydro-1H-pyrazole

5-(4-methoxyphenyl)-3-(4-nitrophenyl)-4,5-dihydro-1H-pyrazole (PubChem CID 626766) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-3-(4-nitrophenyl)-4,5-dihydro-1H-pyrazole.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-3-(4-nitrophenyl)-4,5-dihydro-1H-pyrazole
PubChem CID626766
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC Name5-(4-methoxyphenyl)-3-(4-nitrophenyl)-4,5-dihydro-1H-pyrazole
SMILESCOc1ccc(C2CC(c3ccc([N+](=O)[O-])cc3)=NN2)cc1
InChIInChI=1S/C16H15N3O3/c1-22-14-8-4-12(5-9-14)16-10-15(17-18-16)11-2-6-13(7-3-11)19(20)21/h2-9,16,18H,10H2,1H3
InChIKeyRBEXSHMZPHLMFD-UHFFFAOYSA-N
XLogP3.04
TPSA76.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

1-[5-(4-Methoxy-phenyl)-3-(4-nitro-phenyl)-4,5-dihydro-pyrazol-1-yl]-ethanone
CID 3125610
(E)-4-[3-(4-methoxyphenyl)-5-(3-nitrophenyl)-3,4-dihydropyrazol-2-yl]pent-3-en-2-one
CID 5724255
5-(4-Methoxyphenyl)-3-phenyl-4,5-dihydro-1H-pyrazole
CID 12671425
p-Anisaldehyde, (p-nitrophenyl)hydrazone
CID 9601293
N-[(E)-(4-butoxyphenyl)methylideneamino]-4-nitroaniline
CID 9625392
3-(4-methoxyphenyl)-5-(4-nitrophenyl)-1H-pyrazole
CID 46887959
p-Anisaldehyde o-nitrophenyl hydrazone
CID 5331804
N-[(E)-(4-methoxyphenyl)methylideneamino]-2-(4-nitrophenyl)acetamide
CID 6870876
(2E,4E,6Z,8E)-7-(4-methoxyphenyl)-3-methyl-9-(4-nitrophenyl)nona-2,4,6,8-tetraen-1-amine
CID 121373934
N-[(2-methoxyphenyl)methylideneamino]-4-nitro-aniline
CID 5331675
1-acetyl-3-(4-methoxyphenyl)-5-(4-nitrophenyl)-4,5-dihydro-1H-pyrazole
CID 2879336
N-[(Z)-(4-methoxyphenyl)methylideneamino]-2-(4-nitrophenyl)acetamide
CID 5403378

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-3-(4-nitrophenyl)-4,5-dihydro-1H-pyrazole?
The IUPAC name of 5-(4-methoxyphenyl)-3-(4-nitrophenyl)-4,5-dihydro-1H-pyrazole (CID 626766) is 5-(4-methoxyphenyl)-3-(4-nitrophenyl)-4,5-dihydro-1H-pyrazole.
What is the SMILES notation for 5-(4-methoxyphenyl)-3-(4-nitrophenyl)-4,5-dihydro-1H-pyrazole?
The canonical SMILES for 5-(4-methoxyphenyl)-3-(4-nitrophenyl)-4,5-dihydro-1H-pyrazole is COc1ccc(C2CC(c3ccc([N+](=O)[O-])cc3)=NN2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-3-(4-nitrophenyl)-4,5-dihydro-1H-pyrazole?
The InChIKey is RBEXSHMZPHLMFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3/c1-22-14-8-4-12(5-9-14)16-10-15(17-18-16)11-2-6-13(7-3-11)19(20)21/h2-9,16,18H,10H2,1H3.
What are the key properties of 5-(4-methoxyphenyl)-3-(4-nitrophenyl)-4,5-dihydro-1H-pyrazole?
5-(4-methoxyphenyl)-3-(4-nitrophenyl)-4,5-dihydro-1H-pyrazole has a molecular weight of 297.31 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-3-(4-nitrophenyl)-4,5-dihydro-1H-pyrazole is sourced from PubChem (CID 626766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).