4-methyl-1-[[4-(3-methylbutoxy)cyclohexyl]methyl]pyrazole

C16H28N2O — CID 155411652

IUPAC4-methyl-1-[[4-(3-methylbutoxy)cyclohexyl]methyl]pyrazole
SMILESCc1cnn(CC2CCC(OCCC(C)C)CC2)c1
InChIInChI=1S/C16H28N2O/c1-13(2)8-9-19-16-6-4-15(5-7-16)12-18-11-14(3)10-17-18/h10-11,13,15-16H,4-9,12H2,1-3H3
InChIKeyHUORTSURJBLVMH-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.81
Rot. Bonds6

About 4-methyl-1-[[4-(3-methylbutoxy)cyclohexyl]methyl]pyrazole

4-methyl-1-[[4-(3-methylbutoxy)cyclohexyl]methyl]pyrazole (PubChem CID 155411652) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 4-methyl-1-[[4-(3-methylbutoxy)cyclohexyl]methyl]pyrazole.

Molecular Properties

Compound Name4-methyl-1-[[4-(3-methylbutoxy)cyclohexyl]methyl]pyrazole
PubChem CID155411652
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name4-methyl-1-[[4-(3-methylbutoxy)cyclohexyl]methyl]pyrazole
SMILESCc1cnn(CC2CCC(OCCC(C)C)CC2)c1
InChIInChI=1S/C16H28N2O/c1-13(2)8-9-19-16-6-4-15(5-7-16)12-18-11-14(3)10-17-18/h10-11,13,15-16H,4-9,12H2,1-3H3
InChIKeyHUORTSURJBLVMH-UHFFFAOYSA-N
XLogP3.81
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[[4-(3-methylbutoxy)cyclohexyl]methyl]pyrazole?
The IUPAC name of 4-methyl-1-[[4-(3-methylbutoxy)cyclohexyl]methyl]pyrazole (CID 155411652) is 4-methyl-1-[[4-(3-methylbutoxy)cyclohexyl]methyl]pyrazole.
What is the SMILES notation for 4-methyl-1-[[4-(3-methylbutoxy)cyclohexyl]methyl]pyrazole?
The canonical SMILES for 4-methyl-1-[[4-(3-methylbutoxy)cyclohexyl]methyl]pyrazole is Cc1cnn(CC2CCC(OCCC(C)C)CC2)c1.
What is the InChIKey of 4-methyl-1-[[4-(3-methylbutoxy)cyclohexyl]methyl]pyrazole?
The InChIKey is HUORTSURJBLVMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-13(2)8-9-19-16-6-4-15(5-7-16)12-18-11-14(3)10-17-18/h10-11,13,15-16H,4-9,12H2,1-3H3.
What are the key properties of 4-methyl-1-[[4-(3-methylbutoxy)cyclohexyl]methyl]pyrazole?
4-methyl-1-[[4-(3-methylbutoxy)cyclohexyl]methyl]pyrazole has a molecular weight of 264.41 g/mol, XLogP of 3.81, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[[4-(3-methylbutoxy)cyclohexyl]methyl]pyrazole is sourced from PubChem (CID 155411652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).