1-cyclohexyl-4-(2-methylpropyl)pyrazole

C13H22N2 — CID 155207502

IUPAC1-cyclohexyl-4-(2-methylpropyl)pyrazole
SMILESCC(C)Cc1cnn(C2CCCCC2)c1
InChIInChI=1S/C13H22N2/c1-11(2)8-12-9-14-15(10-12)13-6-4-3-5-7-13/h9-11,13H,3-8H2,1-2H3
InChIKeySVKDHQUBNMBJGJ-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.59
Rot. Bonds3

About 1-cyclohexyl-4-(2-methylpropyl)pyrazole

1-cyclohexyl-4-(2-methylpropyl)pyrazole (PubChem CID 155207502) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 1-cyclohexyl-4-(2-methylpropyl)pyrazole.

Molecular Properties

Compound Name1-cyclohexyl-4-(2-methylpropyl)pyrazole
PubChem CID155207502
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name1-cyclohexyl-4-(2-methylpropyl)pyrazole
SMILESCC(C)Cc1cnn(C2CCCCC2)c1
InChIInChI=1S/C13H22N2/c1-11(2)8-12-9-14-15(10-12)13-6-4-3-5-7-13/h9-11,13H,3-8H2,1-2H3
InChIKeySVKDHQUBNMBJGJ-UHFFFAOYSA-N
XLogP3.59
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-(2-methylpropyl)pyrazole?
The IUPAC name of 1-cyclohexyl-4-(2-methylpropyl)pyrazole (CID 155207502) is 1-cyclohexyl-4-(2-methylpropyl)pyrazole.
What is the SMILES notation for 1-cyclohexyl-4-(2-methylpropyl)pyrazole?
The canonical SMILES for 1-cyclohexyl-4-(2-methylpropyl)pyrazole is CC(C)Cc1cnn(C2CCCCC2)c1.
What is the InChIKey of 1-cyclohexyl-4-(2-methylpropyl)pyrazole?
The InChIKey is SVKDHQUBNMBJGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-11(2)8-12-9-14-15(10-12)13-6-4-3-5-7-13/h9-11,13H,3-8H2,1-2H3.
What are the key properties of 1-cyclohexyl-4-(2-methylpropyl)pyrazole?
1-cyclohexyl-4-(2-methylpropyl)pyrazole has a molecular weight of 206.33 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 1-cyclohexyl-4-(2-methylpropyl)pyrazole is sourced from PubChem (CID 155207502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).