2-cyclohexyl-1,5-dihydropyrazole

C9H16N2 — CID 141393847

IUPAC2-cyclohexyl-1,5-dihydropyrazole
SMILESC1=CN(C2CCCCC2)NC1
InChIInChI=1S/C9H16N2/c1-2-5-9(6-3-1)11-8-4-7-10-11/h4,8-10H,1-3,5-7H2
InChIKeyTUQGLDIAWHHNIP-UHFFFAOYSA-N
MW152.24 g/mol
LogP1.65
Rot. Bonds1

About 2-cyclohexyl-1,5-dihydropyrazole

2-cyclohexyl-1,5-dihydropyrazole (PubChem CID 141393847) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 2-cyclohexyl-1,5-dihydropyrazole.

Molecular Properties

Compound Name2-cyclohexyl-1,5-dihydropyrazole
PubChem CID141393847
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name2-cyclohexyl-1,5-dihydropyrazole
SMILESC1=CN(C2CCCCC2)NC1
InChIInChI=1S/C9H16N2/c1-2-5-9(6-3-1)11-8-4-7-10-11/h4,8-10H,1-3,5-7H2
InChIKeyTUQGLDIAWHHNIP-UHFFFAOYSA-N
XLogP1.65
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1,5-dihydropyrazole?
The IUPAC name of 2-cyclohexyl-1,5-dihydropyrazole (CID 141393847) is 2-cyclohexyl-1,5-dihydropyrazole.
What is the SMILES notation for 2-cyclohexyl-1,5-dihydropyrazole?
The canonical SMILES for 2-cyclohexyl-1,5-dihydropyrazole is C1=CN(C2CCCCC2)NC1.
What is the InChIKey of 2-cyclohexyl-1,5-dihydropyrazole?
The InChIKey is TUQGLDIAWHHNIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-2-5-9(6-3-1)11-8-4-7-10-11/h4,8-10H,1-3,5-7H2.
What are the key properties of 2-cyclohexyl-1,5-dihydropyrazole?
2-cyclohexyl-1,5-dihydropyrazole has a molecular weight of 152.24 g/mol, XLogP of 1.65, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1,5-dihydropyrazole is sourced from PubChem (CID 141393847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).