1-[4-(2-nitroethenyl)phenyl]pyrazole

C11H9N3O2 — CID 76913032

IUPAC1-[4-(2-nitroethenyl)phenyl]pyrazole
SMILESO=[N+]([O-])C=Cc1ccc(-n2cccn2)cc1
InChIInChI=1S/C11H9N3O2/c15-14(16)9-6-10-2-4-11(5-3-10)13-8-1-7-12-13/h1-9H
InChIKeyCYNGSVYSHMKTBH-UHFFFAOYSA-N
MW215.21 g/mol
LogP2.12
Rot. Bonds3

About 1-[4-(2-nitroethenyl)phenyl]pyrazole

1-[4-(2-nitroethenyl)phenyl]pyrazole (PubChem CID 76913032) has the molecular formula C11H9N3O2 and a molecular weight of 215.21 g/mol. Its IUPAC name is 1-[4-(2-nitroethenyl)phenyl]pyrazole.

Molecular Properties

Compound Name1-[4-(2-nitroethenyl)phenyl]pyrazole
PubChem CID76913032
Molecular FormulaC11H9N3O2
Molecular Weight215.21 g/mol
Exact Mass215.07
IUPAC Name1-[4-(2-nitroethenyl)phenyl]pyrazole
SMILESO=[N+]([O-])C=Cc1ccc(-n2cccn2)cc1
InChIInChI=1S/C11H9N3O2/c15-14(16)9-6-10-2-4-11(5-3-10)13-8-1-7-12-13/h1-9H
InChIKeyCYNGSVYSHMKTBH-UHFFFAOYSA-N
XLogP2.12
TPSA60.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 52.12
H-Bond Donors ≤ 50
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

1-[4-(3-bromoprop-1-enyl)phenyl]pyrazole
CID 79322595
3-(4-pyrazol-1-ylphenyl)prop-2-ene-1-thiol
CID 169455886
1-(4-ethenylphenyl)pyrazole
CID 59449537
(E)-4-(4-pyrazol-1-ylphenyl)but-3-enoic acid
CID 15045267
2-nitroethenylbenzene
CID 7626
1-[4-(4-chlorobut-1-enyl)phenyl]pyrazole
CID 170499856
4-[(Z)-2-nitroethenyl]phenol
CID 15311368
1-(2-nitroethenyl)-4-[4-(2-nitroethenyl)phenyl]sulfonylbenzene
CID 87998421
4-pyrazol-1-ylbenzoate
CID 5158283
1-(4-bromophenyl)pyrazole
CID 10443564
(E)-3-(4-methoxyphenyl)-1-(4-pyrazol-1-ylphenyl)prop-2-en-1-one
CID 24971019
1-(2-nitroethenyl)-4-phenoxybenzene
CID 54104165

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-nitroethenyl)phenyl]pyrazole?
The IUPAC name of 1-[4-(2-nitroethenyl)phenyl]pyrazole (CID 76913032) is 1-[4-(2-nitroethenyl)phenyl]pyrazole.
What is the SMILES notation for 1-[4-(2-nitroethenyl)phenyl]pyrazole?
The canonical SMILES for 1-[4-(2-nitroethenyl)phenyl]pyrazole is O=[N+]([O-])C=Cc1ccc(-n2cccn2)cc1.
What is the InChIKey of 1-[4-(2-nitroethenyl)phenyl]pyrazole?
The InChIKey is CYNGSVYSHMKTBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O2/c15-14(16)9-6-10-2-4-11(5-3-10)13-8-1-7-12-13/h1-9H.
What are the key properties of 1-[4-(2-nitroethenyl)phenyl]pyrazole?
1-[4-(2-nitroethenyl)phenyl]pyrazole has a molecular weight of 215.21 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-nitroethenyl)phenyl]pyrazole is sourced from PubChem (CID 76913032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).