1-(2-methylcyclohexyl)-4-nitropyrazole

C10H15N3O2 — CID 146481303

IUPAC1-(2-methylcyclohexyl)-4-nitropyrazole
SMILESCC1CCCCC1n1cc([N+](=O)[O-])cn1
InChIInChI=1S/C10H15N3O2/c1-8-4-2-3-5-10(8)12-7-9(6-11-12)13(14)15/h6-8,10H,2-5H2,1H3
InChIKeyKHLTUTMWZZLCHA-UHFFFAOYSA-N
MW209.25 g/mol
LogP2.54
Rot. Bonds2

About 1-(2-methylcyclohexyl)-4-nitropyrazole

1-(2-methylcyclohexyl)-4-nitropyrazole (PubChem CID 146481303) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 1-(2-methylcyclohexyl)-4-nitropyrazole.

Molecular Properties

Compound Name1-(2-methylcyclohexyl)-4-nitropyrazole
PubChem CID146481303
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name1-(2-methylcyclohexyl)-4-nitropyrazole
SMILESCC1CCCCC1n1cc([N+](=O)[O-])cn1
InChIInChI=1S/C10H15N3O2/c1-8-4-2-3-5-10(8)12-7-9(6-11-12)13(14)15/h6-8,10H,2-5H2,1H3
InChIKeyKHLTUTMWZZLCHA-UHFFFAOYSA-N
XLogP2.54
TPSA60.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 52.54
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-(1-Adamantyl)-4-nitropyrazole
CID 15529614
1-Butyl-4-nitropyrazole
CID 50999673
1-(5-Fluoro-hexyl)-4-nitro-1H-pyrazole
CID 66928493
1-(5,5-difluoro-hexyl)-4-nitro-1H-pyrazole
CID 66928574
1-(2-fluoroethyl)-4-(4-nitro-1H-pyrazol-1-yl)piperidine
CID 117908424
3-Fluoro-1-methyl-4-(4-nitro-1h-pyrazol-1-yl)piperidine
CID 118288740
1-(4,4-Difluorocyclohexyl)-4-nitropyrazole
CID 124109924
1-[(3,3-Difluorocyclobutyl)methyl]-4-nitropyrazole
CID 126790708
1-Ethyl-3-fluoro-4-(4-nitropyrazol-1-yl)piperidine
CID 131873394
4-Nitro-1-[1-[4-(trifluoromethyl)cyclohexyl]ethyl]pyrazole
CID 156248131
3-(Difluoromethyl)-1-(4-methylcyclohexyl)-4-nitropyrazole
CID 170379373
(3R,4R)-3-fluoro-4-(4-nitropyrazol-1-yl)-1-propan-2-ylpiperidine
CID 171778586

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylcyclohexyl)-4-nitropyrazole?
The IUPAC name of 1-(2-methylcyclohexyl)-4-nitropyrazole (CID 146481303) is 1-(2-methylcyclohexyl)-4-nitropyrazole.
What is the SMILES notation for 1-(2-methylcyclohexyl)-4-nitropyrazole?
The canonical SMILES for 1-(2-methylcyclohexyl)-4-nitropyrazole is CC1CCCCC1n1cc([N+](=O)[O-])cn1.
What is the InChIKey of 1-(2-methylcyclohexyl)-4-nitropyrazole?
The InChIKey is KHLTUTMWZZLCHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-8-4-2-3-5-10(8)12-7-9(6-11-12)13(14)15/h6-8,10H,2-5H2,1H3.
What are the key properties of 1-(2-methylcyclohexyl)-4-nitropyrazole?
1-(2-methylcyclohexyl)-4-nitropyrazole has a molecular weight of 209.25 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylcyclohexyl)-4-nitropyrazole is sourced from PubChem (CID 146481303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).