1-cyclopent-3-en-1-yl-5-cyclopropyl-4-nitropyrazole

C11H13N3O2 — CID 118280768

IUPAC1-cyclopent-3-en-1-yl-5-cyclopropyl-4-nitropyrazole
SMILESO=[N+]([O-])c1cnn(C2CC=CC2)c1C1CC1
InChIInChI=1S/C11H13N3O2/c15-14(16)10-7-12-13(9-3-1-2-4-9)11(10)8-5-6-8/h1-2,7-9H,3-6H2
InChIKeyOZYUCHWXACEUFK-UHFFFAOYSA-N
MW219.24 g/mol
LogP2.56
Rot. Bonds3

About 1-cyclopent-3-en-1-yl-5-cyclopropyl-4-nitropyrazole

1-cyclopent-3-en-1-yl-5-cyclopropyl-4-nitropyrazole (PubChem CID 118280768) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 1-cyclopent-3-en-1-yl-5-cyclopropyl-4-nitropyrazole.

Molecular Properties

Compound Name1-cyclopent-3-en-1-yl-5-cyclopropyl-4-nitropyrazole
PubChem CID118280768
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name1-cyclopent-3-en-1-yl-5-cyclopropyl-4-nitropyrazole
SMILESO=[N+]([O-])c1cnn(C2CC=CC2)c1C1CC1
InChIInChI=1S/C11H13N3O2/c15-14(16)10-7-12-13(9-3-1-2-4-9)11(10)8-5-6-8/h1-2,7-9H,3-6H2
InChIKeyOZYUCHWXACEUFK-UHFFFAOYSA-N
XLogP2.56
TPSA60.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(5-chloro-4-nitropyrazol-1-yl)piperidine
CID 146481316
1-methyl-4-nitro-5-[(2R)-2,3,6,7-tetrahydrooxepin-2-yl]pyrazole
CID 125482018
(3S,6S)-6-(1-methyl-4-nitropyrazol-5-yl)oxepan-3-ol
CID 129409216
(3R)-3-(5-methyl-4-nitropyrazol-1-yl)piperidine;hydrochloride
CID 140765908
5-chloro-4-nitro-1-(oxan-2-yl)pyrazole
CID 90010622
4-nitro-1-(3,3,5,5-tetramethylcyclohexyl)pyrazol-5-amine
CID 112682286
1-cyclopent-3-en-1-yl-3-(difluoromethyl)-4-nitropyrazole
CID 172586980
[3-(5-methyl-4-nitropyrazol-1-yl)cyclobutyl]methanol
CID 135374285
1-(cyclopropylmethyl)-5-ethyl-4-nitropyrazole
CID 139947434
3-(5-chloro-4-nitropyrazol-1-yl)-N-(2-ethoxyethyl)-N-methylcyclopentan-1-amine
CID 157121713
methyl 3-(5-methyl-4-nitropyrazol-1-yl)cyclobutane-1-carboxylate
CID 135374496
5-ethyl-4-nitro-1-(oxan-2-yl)pyrazole
CID 126503350

Frequently Asked Questions

What is the IUPAC name of 1-cyclopent-3-en-1-yl-5-cyclopropyl-4-nitropyrazole?
The IUPAC name of 1-cyclopent-3-en-1-yl-5-cyclopropyl-4-nitropyrazole (CID 118280768) is 1-cyclopent-3-en-1-yl-5-cyclopropyl-4-nitropyrazole.
What is the SMILES notation for 1-cyclopent-3-en-1-yl-5-cyclopropyl-4-nitropyrazole?
The canonical SMILES for 1-cyclopent-3-en-1-yl-5-cyclopropyl-4-nitropyrazole is O=[N+]([O-])c1cnn(C2CC=CC2)c1C1CC1.
What is the InChIKey of 1-cyclopent-3-en-1-yl-5-cyclopropyl-4-nitropyrazole?
The InChIKey is OZYUCHWXACEUFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c15-14(16)10-7-12-13(9-3-1-2-4-9)11(10)8-5-6-8/h1-2,7-9H,3-6H2.
What are the key properties of 1-cyclopent-3-en-1-yl-5-cyclopropyl-4-nitropyrazole?
1-cyclopent-3-en-1-yl-5-cyclopropyl-4-nitropyrazole has a molecular weight of 219.24 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopent-3-en-1-yl-5-cyclopropyl-4-nitropyrazole is sourced from PubChem (CID 118280768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).