1-(cyclohexylmethyl)-4-nitropyrazole

C10H15N3O2 — CID 51000344

IUPAC1-(cyclohexylmethyl)-4-nitropyrazole
SMILESO=[N+]([O-])c1cnn(CC2CCCCC2)c1
InChIInChI=1S/C10H15N3O2/c14-13(15)10-6-11-12(8-10)7-9-4-2-1-3-5-9/h6,8-9H,1-5,7H2
InChIKeyKTGCWCQBNZWEJT-UHFFFAOYSA-N
MW209.25 g/mol
LogP2.37
Rot. Bonds3

About 1-(cyclohexylmethyl)-4-nitropyrazole

1-(cyclohexylmethyl)-4-nitropyrazole (PubChem CID 51000344) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-4-nitropyrazole.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-4-nitropyrazole
PubChem CID51000344
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name1-(cyclohexylmethyl)-4-nitropyrazole
SMILESO=[N+]([O-])c1cnn(CC2CCCCC2)c1
InChIInChI=1S/C10H15N3O2/c14-13(15)10-6-11-12(8-10)7-9-4-2-1-3-5-9/h6,8-9H,1-5,7H2
InChIKeyKTGCWCQBNZWEJT-UHFFFAOYSA-N
XLogP2.37
TPSA60.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 52.37
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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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-4-nitropyrazole?
The IUPAC name of 1-(cyclohexylmethyl)-4-nitropyrazole (CID 51000344) is 1-(cyclohexylmethyl)-4-nitropyrazole.
What is the SMILES notation for 1-(cyclohexylmethyl)-4-nitropyrazole?
The canonical SMILES for 1-(cyclohexylmethyl)-4-nitropyrazole is O=[N+]([O-])c1cnn(CC2CCCCC2)c1.
What is the InChIKey of 1-(cyclohexylmethyl)-4-nitropyrazole?
The InChIKey is KTGCWCQBNZWEJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c14-13(15)10-6-11-12(8-10)7-9-4-2-1-3-5-9/h6,8-9H,1-5,7H2.
What are the key properties of 1-(cyclohexylmethyl)-4-nitropyrazole?
1-(cyclohexylmethyl)-4-nitropyrazole has a molecular weight of 209.25 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-4-nitropyrazole is sourced from PubChem (CID 51000344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).