3-cyclopenta-2,4-dien-1-yl-5-methyl-1-(4-nitrophenyl)pyrazole

C15H13N3O2 — CID 132606811

IUPAC3-cyclopenta-2,4-dien-1-yl-5-methyl-1-(4-nitrophenyl)pyrazole
SMILESCc1cc(C2C=CC=C2)nn1-c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H13N3O2/c1-11-10-15(12-4-2-3-5-12)16-17(11)13-6-8-14(9-7-13)18(19)20/h2-10,12H,1H3
InChIKeyGMGOWCJFTPZXNK-UHFFFAOYSA-N
MW267.29 g/mol
LogP3.30
Rot. Bonds3

About 3-cyclopenta-2,4-dien-1-yl-5-methyl-1-(4-nitrophenyl)pyrazole

3-cyclopenta-2,4-dien-1-yl-5-methyl-1-(4-nitrophenyl)pyrazole (PubChem CID 132606811) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 3-cyclopenta-2,4-dien-1-yl-5-methyl-1-(4-nitrophenyl)pyrazole.

Molecular Properties

Compound Name3-cyclopenta-2,4-dien-1-yl-5-methyl-1-(4-nitrophenyl)pyrazole
PubChem CID132606811
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name3-cyclopenta-2,4-dien-1-yl-5-methyl-1-(4-nitrophenyl)pyrazole
SMILESCc1cc(C2C=CC=C2)nn1-c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H13N3O2/c1-11-10-15(12-4-2-3-5-12)16-17(11)13-6-8-14(9-7-13)18(19)20/h2-10,12H,1H3
InChIKeyGMGOWCJFTPZXNK-UHFFFAOYSA-N
XLogP3.30
TPSA60.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 53.30
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

5-methyl-1-(4-nitrophenyl)pyrazol-3-amine
CID 50999869
1-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]ethanone
CID 121001716
5-methyl-1-(4-methylphenyl)-3-nitropyrazole
CID 46924229
1-cyclopenta-2,4-dien-1-yl-4-nitrobenzene
CID 627934
5-ethenyl-3-methyl-1-(4-nitrophenyl)pyrazole
CID 15439117
4-(3,5-dimethylpyrazol-1-yl)-N'-(4-nitrophenyl)benzohydrazide
CID 4862138
4-(3,4-dichlorophenyl)-3,5-dimethyl-1-(4-nitrophenyl)pyrazole
CID 50884208
3-methyl-1-(4-nitrophenyl)-1,2,4-triazole
CID 12877065
N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-5-nitropyridin-2-amine
CID 71852156
1-(3-fluoro-5-nitrophenyl)-5-methylpyrazol-3-amine
CID 107335746
6-(3,5-dimethylpyrazol-1-yl)-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]pyridine-3-carboxamide
CID 55668204
(E)-3-(4-acetamidophenyl)-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]prop-2-enamide
CID 55520007

Frequently Asked Questions

What is the IUPAC name of 3-cyclopenta-2,4-dien-1-yl-5-methyl-1-(4-nitrophenyl)pyrazole?
The IUPAC name of 3-cyclopenta-2,4-dien-1-yl-5-methyl-1-(4-nitrophenyl)pyrazole (CID 132606811) is 3-cyclopenta-2,4-dien-1-yl-5-methyl-1-(4-nitrophenyl)pyrazole.
What is the SMILES notation for 3-cyclopenta-2,4-dien-1-yl-5-methyl-1-(4-nitrophenyl)pyrazole?
The canonical SMILES for 3-cyclopenta-2,4-dien-1-yl-5-methyl-1-(4-nitrophenyl)pyrazole is Cc1cc(C2C=CC=C2)nn1-c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 3-cyclopenta-2,4-dien-1-yl-5-methyl-1-(4-nitrophenyl)pyrazole?
The InChIKey is GMGOWCJFTPZXNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-11-10-15(12-4-2-3-5-12)16-17(11)13-6-8-14(9-7-13)18(19)20/h2-10,12H,1H3.
What are the key properties of 3-cyclopenta-2,4-dien-1-yl-5-methyl-1-(4-nitrophenyl)pyrazole?
3-cyclopenta-2,4-dien-1-yl-5-methyl-1-(4-nitrophenyl)pyrazole has a molecular weight of 267.29 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopenta-2,4-dien-1-yl-5-methyl-1-(4-nitrophenyl)pyrazole is sourced from PubChem (CID 132606811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).