5-cyclohexyl-1H-pyrazole

C9H14N2 — CID 10909742

IUPAC5-cyclohexyl-1H-pyrazole
SMILESc1cc(C2CCCCC2)[nH]n1
InChIInChI=1S/C9H14N2/c1-2-4-8(5-3-1)9-6-7-10-11-9/h6-8H,1-5H2,(H,10,11)
InChIKeyRISQWZNRZAZRPJ-UHFFFAOYSA-N
MW150.23 g/mol
LogP2.46
Rot. Bonds1

About 5-cyclohexyl-1H-pyrazole

5-cyclohexyl-1H-pyrazole (PubChem CID 10909742) has the molecular formula C9H14N2 and a molecular weight of 150.23 g/mol. Its IUPAC name is 5-cyclohexyl-1H-pyrazole.

Molecular Properties

Compound Name5-cyclohexyl-1H-pyrazole
PubChem CID10909742
Molecular FormulaC9H14N2
Molecular Weight150.23 g/mol
Exact Mass150.12
IUPAC Name5-cyclohexyl-1H-pyrazole
SMILESc1cc(C2CCCCC2)[nH]n1
InChIInChI=1S/C9H14N2/c1-2-4-8(5-3-1)9-6-7-10-11-9/h6-8H,1-5H2,(H,10,11)
InChIKeyRISQWZNRZAZRPJ-UHFFFAOYSA-N
XLogP2.46
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.23
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-1H-pyrazole?
The IUPAC name of 5-cyclohexyl-1H-pyrazole (CID 10909742) is 5-cyclohexyl-1H-pyrazole.
What is the SMILES notation for 5-cyclohexyl-1H-pyrazole?
The canonical SMILES for 5-cyclohexyl-1H-pyrazole is c1cc(C2CCCCC2)[nH]n1.
What is the InChIKey of 5-cyclohexyl-1H-pyrazole?
The InChIKey is RISQWZNRZAZRPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-2-4-8(5-3-1)9-6-7-10-11-9/h6-8H,1-5H2,(H,10,11).
What are the key properties of 5-cyclohexyl-1H-pyrazole?
5-cyclohexyl-1H-pyrazole has a molecular weight of 150.23 g/mol, XLogP of 2.46, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-1H-pyrazole is sourced from PubChem (CID 10909742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).