3-cyclopropyl-5-(4-ethenylcyclohexyl)-4H-pyrazole

C14H20N2 — CID 58549979

IUPAC3-cyclopropyl-5-(4-ethenylcyclohexyl)-4H-pyrazole
SMILESC=CC1CCC(C2=NN=C(C3CC3)C2)CC1
InChIInChI=1S/C14H20N2/c1-2-10-3-5-11(6-4-10)13-9-14(16-15-13)12-7-8-12/h2,10-12H,1,3-9H2
InChIKeyPRSFNDYAJZLSHY-UHFFFAOYSA-N
MW216.33 g/mol
LogP3.59
Rot. Bonds3

About 3-cyclopropyl-5-(4-ethenylcyclohexyl)-4H-pyrazole

3-cyclopropyl-5-(4-ethenylcyclohexyl)-4H-pyrazole (PubChem CID 58549979) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 3-cyclopropyl-5-(4-ethenylcyclohexyl)-4H-pyrazole.

Molecular Properties

Compound Name3-cyclopropyl-5-(4-ethenylcyclohexyl)-4H-pyrazole
PubChem CID58549979
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name3-cyclopropyl-5-(4-ethenylcyclohexyl)-4H-pyrazole
SMILESC=CC1CCC(C2=NN=C(C3CC3)C2)CC1
InChIInChI=1S/C14H20N2/c1-2-10-3-5-11(6-4-10)13-9-14(16-15-13)12-7-8-12/h2,10-12H,1,3-9H2
InChIKeyPRSFNDYAJZLSHY-UHFFFAOYSA-N
XLogP3.59
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-(4-ethenylcyclohexyl)-4H-pyrazole?
The IUPAC name of 3-cyclopropyl-5-(4-ethenylcyclohexyl)-4H-pyrazole (CID 58549979) is 3-cyclopropyl-5-(4-ethenylcyclohexyl)-4H-pyrazole.
What is the SMILES notation for 3-cyclopropyl-5-(4-ethenylcyclohexyl)-4H-pyrazole?
The canonical SMILES for 3-cyclopropyl-5-(4-ethenylcyclohexyl)-4H-pyrazole is C=CC1CCC(C2=NN=C(C3CC3)C2)CC1.
What is the InChIKey of 3-cyclopropyl-5-(4-ethenylcyclohexyl)-4H-pyrazole?
The InChIKey is PRSFNDYAJZLSHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-2-10-3-5-11(6-4-10)13-9-14(16-15-13)12-7-8-12/h2,10-12H,1,3-9H2.
What are the key properties of 3-cyclopropyl-5-(4-ethenylcyclohexyl)-4H-pyrazole?
3-cyclopropyl-5-(4-ethenylcyclohexyl)-4H-pyrazole has a molecular weight of 216.33 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-(4-ethenylcyclohexyl)-4H-pyrazole is sourced from PubChem (CID 58549979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).