1-(cyclohexylmethyl)pyrazole

C10H16N2 — CID 63811257

IUPAC1-(cyclohexylmethyl)pyrazole
SMILESc1cnn(CC2CCCCC2)c1
InChIInChI=1S/C10H16N2/c1-2-5-10(6-3-1)9-12-8-4-7-11-12/h4,7-8,10H,1-3,5-6,9H2
InChIKeySLBLIQDPVAGKAY-UHFFFAOYSA-N
MW164.25 g/mol
LogP2.46
Rot. Bonds2

About 1-(cyclohexylmethyl)pyrazole

1-(cyclohexylmethyl)pyrazole (PubChem CID 63811257) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)pyrazole.

Molecular Properties

Compound Name1-(cyclohexylmethyl)pyrazole
PubChem CID63811257
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name1-(cyclohexylmethyl)pyrazole
SMILESc1cnn(CC2CCCCC2)c1
InChIInChI=1S/C10H16N2/c1-2-5-10(6-3-1)9-12-8-4-7-11-12/h4,7-8,10H,1-3,5-6,9H2
InChIKeySLBLIQDPVAGKAY-UHFFFAOYSA-N
XLogP2.46
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)pyrazole?
The IUPAC name of 1-(cyclohexylmethyl)pyrazole (CID 63811257) is 1-(cyclohexylmethyl)pyrazole.
What is the SMILES notation for 1-(cyclohexylmethyl)pyrazole?
The canonical SMILES for 1-(cyclohexylmethyl)pyrazole is c1cnn(CC2CCCCC2)c1.
What is the InChIKey of 1-(cyclohexylmethyl)pyrazole?
The InChIKey is SLBLIQDPVAGKAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-2-5-10(6-3-1)9-12-8-4-7-11-12/h4,7-8,10H,1-3,5-6,9H2.
What are the key properties of 1-(cyclohexylmethyl)pyrazole?
1-(cyclohexylmethyl)pyrazole has a molecular weight of 164.25 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)pyrazole is sourced from PubChem (CID 63811257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).