3,5-dimethyl-1-(2-propan-2-yloxycyclohexyl)pyrazole

C14H24N2O — CID 146551577

IUPAC3,5-dimethyl-1-(2-propan-2-yloxycyclohexyl)pyrazole
SMILESCc1cc(C)n(C2CCCCC2OC(C)C)n1
InChIInChI=1S/C14H24N2O/c1-10(2)17-14-8-6-5-7-13(14)16-12(4)9-11(3)15-16/h9-10,13-14H,5-8H2,1-4H3
InChIKeyISCMRDPIMSTNQM-UHFFFAOYSA-N
MW236.36 g/mol
LogP3.41
Rot. Bonds3

About 3,5-dimethyl-1-(2-propan-2-yloxycyclohexyl)pyrazole

3,5-dimethyl-1-(2-propan-2-yloxycyclohexyl)pyrazole (PubChem CID 146551577) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 3,5-dimethyl-1-(2-propan-2-yloxycyclohexyl)pyrazole.

Molecular Properties

Compound Name3,5-dimethyl-1-(2-propan-2-yloxycyclohexyl)pyrazole
PubChem CID146551577
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name3,5-dimethyl-1-(2-propan-2-yloxycyclohexyl)pyrazole
SMILESCc1cc(C)n(C2CCCCC2OC(C)C)n1
InChIInChI=1S/C14H24N2O/c1-10(2)17-14-8-6-5-7-13(14)16-12(4)9-11(3)15-16/h9-10,13-14H,5-8H2,1-4H3
InChIKeyISCMRDPIMSTNQM-UHFFFAOYSA-N
XLogP3.41
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-(2-propan-2-yloxycyclohexyl)pyrazole?
The IUPAC name of 3,5-dimethyl-1-(2-propan-2-yloxycyclohexyl)pyrazole (CID 146551577) is 3,5-dimethyl-1-(2-propan-2-yloxycyclohexyl)pyrazole.
What is the SMILES notation for 3,5-dimethyl-1-(2-propan-2-yloxycyclohexyl)pyrazole?
The canonical SMILES for 3,5-dimethyl-1-(2-propan-2-yloxycyclohexyl)pyrazole is Cc1cc(C)n(C2CCCCC2OC(C)C)n1.
What is the InChIKey of 3,5-dimethyl-1-(2-propan-2-yloxycyclohexyl)pyrazole?
The InChIKey is ISCMRDPIMSTNQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-10(2)17-14-8-6-5-7-13(14)16-12(4)9-11(3)15-16/h9-10,13-14H,5-8H2,1-4H3.
What are the key properties of 3,5-dimethyl-1-(2-propan-2-yloxycyclohexyl)pyrazole?
3,5-dimethyl-1-(2-propan-2-yloxycyclohexyl)pyrazole has a molecular weight of 236.36 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-(2-propan-2-yloxycyclohexyl)pyrazole is sourced from PubChem (CID 146551577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).