3-[4-butyl-4-(ethoxymethyl)cyclohexyl]-4-ethyl-2,3-dihydro-1H-pyrazole

C18H34N2O — CID 155161016

IUPAC3-[4-butyl-4-(ethoxymethyl)cyclohexyl]-4-ethyl-2,3-dihydro-1H-pyrazole
SMILESCCCCC1(COCC)CCC(C2NNC=C2CC)CC1
InChIInChI=1S/C18H34N2O/c1-4-7-10-18(14-21-6-3)11-8-16(9-12-18)17-15(5-2)13-19-20-17/h13,16-17,19-20H,4-12,14H2,1-3H3
InChIKeyJKDASERAGTZZMJ-UHFFFAOYSA-N
MW294.48 g/mol
LogP4.16
Rot. Bonds8

About 3-[4-butyl-4-(ethoxymethyl)cyclohexyl]-4-ethyl-2,3-dihydro-1H-pyrazole

3-[4-butyl-4-(ethoxymethyl)cyclohexyl]-4-ethyl-2,3-dihydro-1H-pyrazole (PubChem CID 155161016) has the molecular formula C18H34N2O and a molecular weight of 294.48 g/mol. Its IUPAC name is 3-[4-butyl-4-(ethoxymethyl)cyclohexyl]-4-ethyl-2,3-dihydro-1H-pyrazole.

Molecular Properties

Compound Name3-[4-butyl-4-(ethoxymethyl)cyclohexyl]-4-ethyl-2,3-dihydro-1H-pyrazole
PubChem CID155161016
Molecular FormulaC18H34N2O
Molecular Weight294.48 g/mol
Exact Mass294.27
IUPAC Name3-[4-butyl-4-(ethoxymethyl)cyclohexyl]-4-ethyl-2,3-dihydro-1H-pyrazole
SMILESCCCCC1(COCC)CCC(C2NNC=C2CC)CC1
InChIInChI=1S/C18H34N2O/c1-4-7-10-18(14-21-6-3)11-8-16(9-12-18)17-15(5-2)13-19-20-17/h13,16-17,19-20H,4-12,14H2,1-3H3
InChIKeyJKDASERAGTZZMJ-UHFFFAOYSA-N
XLogP4.16
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.48
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[4-butyl-4-(ethoxymethyl)cyclohexyl]-4-ethyl-2,3-dihydro-1H-pyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[4-butyl-4-(ethoxymethyl)cyclohexyl]-4-ethyl-2,3-dihydro-1H-pyrazole?
The IUPAC name of 3-[4-butyl-4-(ethoxymethyl)cyclohexyl]-4-ethyl-2,3-dihydro-1H-pyrazole (CID 155161016) is 3-[4-butyl-4-(ethoxymethyl)cyclohexyl]-4-ethyl-2,3-dihydro-1H-pyrazole.
What is the SMILES notation for 3-[4-butyl-4-(ethoxymethyl)cyclohexyl]-4-ethyl-2,3-dihydro-1H-pyrazole?
The canonical SMILES for 3-[4-butyl-4-(ethoxymethyl)cyclohexyl]-4-ethyl-2,3-dihydro-1H-pyrazole is CCCCC1(COCC)CCC(C2NNC=C2CC)CC1.
What is the InChIKey of 3-[4-butyl-4-(ethoxymethyl)cyclohexyl]-4-ethyl-2,3-dihydro-1H-pyrazole?
The InChIKey is JKDASERAGTZZMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O/c1-4-7-10-18(14-21-6-3)11-8-16(9-12-18)17-15(5-2)13-19-20-17/h13,16-17,19-20H,4-12,14H2,1-3H3.
What are the key properties of 3-[4-butyl-4-(ethoxymethyl)cyclohexyl]-4-ethyl-2,3-dihydro-1H-pyrazole?
3-[4-butyl-4-(ethoxymethyl)cyclohexyl]-4-ethyl-2,3-dihydro-1H-pyrazole has a molecular weight of 294.48 g/mol, XLogP of 4.16, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-butyl-4-(ethoxymethyl)cyclohexyl]-4-ethyl-2,3-dihydro-1H-pyrazole is sourced from PubChem (CID 155161016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).