1-(1-pyrazol-1-ylcyclohexyl)pyrazole

C12H16N4 — CID 591043

IUPAC1-(1-pyrazol-1-ylcyclohexyl)pyrazole
SMILESc1cnn(C2(n3cccn3)CCCCC2)c1
InChIInChI=1S/C12H16N4/c1-2-6-12(7-3-1,15-10-4-8-13-15)16-11-5-9-14-16/h4-5,8-11H,1-3,6-7H2
InChIKeyMYJHFTOABAVESW-UHFFFAOYSA-N
MW216.29 g/mol
LogP2.24
Rot. Bonds2

About 1-(1-pyrazol-1-ylcyclohexyl)pyrazole

1-(1-pyrazol-1-ylcyclohexyl)pyrazole (PubChem CID 591043) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is 1-(1-pyrazol-1-ylcyclohexyl)pyrazole.

Molecular Properties

Compound Name1-(1-pyrazol-1-ylcyclohexyl)pyrazole
PubChem CID591043
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name1-(1-pyrazol-1-ylcyclohexyl)pyrazole
SMILESc1cnn(C2(n3cccn3)CCCCC2)c1
InChIInChI=1S/C12H16N4/c1-2-6-12(7-3-1,15-10-4-8-13-15)16-11-5-9-14-16/h4-5,8-11H,1-3,6-7H2
InChIKeyMYJHFTOABAVESW-UHFFFAOYSA-N
XLogP2.24
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-pyrazol-1-ylcyclohexyl)pyrazole?
The IUPAC name of 1-(1-pyrazol-1-ylcyclohexyl)pyrazole (CID 591043) is 1-(1-pyrazol-1-ylcyclohexyl)pyrazole.
What is the SMILES notation for 1-(1-pyrazol-1-ylcyclohexyl)pyrazole?
The canonical SMILES for 1-(1-pyrazol-1-ylcyclohexyl)pyrazole is c1cnn(C2(n3cccn3)CCCCC2)c1.
What is the InChIKey of 1-(1-pyrazol-1-ylcyclohexyl)pyrazole?
The InChIKey is MYJHFTOABAVESW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-2-6-12(7-3-1,15-10-4-8-13-15)16-11-5-9-14-16/h4-5,8-11H,1-3,6-7H2.
What are the key properties of 1-(1-pyrazol-1-ylcyclohexyl)pyrazole?
1-(1-pyrazol-1-ylcyclohexyl)pyrazole has a molecular weight of 216.29 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-pyrazol-1-ylcyclohexyl)pyrazole is sourced from PubChem (CID 591043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).