1-[5-cyclobutyl-1-(3-methylphenyl)pyrazol-4-yl]piperazine

C18H24N4 — CID 117210663

IUPAC1-[5-cyclobutyl-1-(3-methylphenyl)pyrazol-4-yl]piperazine
SMILESCc1cccc(-n2ncc(N3CCNCC3)c2C2CCC2)c1
InChIInChI=1S/C18H24N4/c1-14-4-2-7-16(12-14)22-18(15-5-3-6-15)17(13-20-22)21-10-8-19-9-11-21/h2,4,7,12-13,15,19H,3,5-6,8-11H2,1H3
InChIKeyXLXLYSYNPBGIBA-UHFFFAOYSA-N
MW296.42 g/mol
LogP2.86
Rot. Bonds3

About 1-[5-cyclobutyl-1-(3-methylphenyl)pyrazol-4-yl]piperazine

1-[5-cyclobutyl-1-(3-methylphenyl)pyrazol-4-yl]piperazine (PubChem CID 117210663) has the molecular formula C18H24N4 and a molecular weight of 296.42 g/mol. Its IUPAC name is 1-[5-cyclobutyl-1-(3-methylphenyl)pyrazol-4-yl]piperazine.

Molecular Properties

Compound Name1-[5-cyclobutyl-1-(3-methylphenyl)pyrazol-4-yl]piperazine
PubChem CID117210663
Molecular FormulaC18H24N4
Molecular Weight296.42 g/mol
Exact Mass296.20
IUPAC Name1-[5-cyclobutyl-1-(3-methylphenyl)pyrazol-4-yl]piperazine
SMILESCc1cccc(-n2ncc(N3CCNCC3)c2C2CCC2)c1
InChIInChI=1S/C18H24N4/c1-14-4-2-7-16(12-14)22-18(15-5-3-6-15)17(13-20-22)21-10-8-19-9-11-21/h2,4,7,12-13,15,19H,3,5-6,8-11H2,1H3
InChIKeyXLXLYSYNPBGIBA-UHFFFAOYSA-N
XLogP2.86
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-cyclobutyl-1-(2-fluorophenyl)pyrazol-4-yl]piperazine
CID 117210842
1-[1-(4-chlorophenyl)-5-cyclopropylpyrazol-4-yl]piperazine
CID 117210435
5-cyclohexyl-1-(3-methylphenyl)pyrazole-4-carboxylic acid
CID 82361438
1-[1-(2-chlorophenyl)-5-cyclopropylpyrazol-4-yl]piperazine
CID 117210825
1-[5-cyclobutyl-1-(2-methylphenyl)pyrazol-4-yl]piperidin-4-amine
CID 117210828
1-(3-methylphenyl)-N-phenyl-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
CID 146053191
5-cyclobutyl-1-(3-methylphenyl)triazol-4-amine
CID 105485940
N-(4-acetamidophenyl)-1-(3-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
CID 146059794
1-[1-(3-methylphenyl)-5-propan-2-ylpyrazol-4-yl]piperidin-4-amine
CID 117210699
4-cyclopentyloxy-2-(3-fluoro-5-methylphenyl)-5-piperazin-1-ylpyridazin-3-one
CID 118350566
N-(4-chlorophenyl)-1-(3-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
CID 146053171
[5-methyl-1-(3-methylphenyl)pyrazol-4-yl]-piperazin-1-ylmethanone
CID 82528763

Frequently Asked Questions

What is the IUPAC name of 1-[5-cyclobutyl-1-(3-methylphenyl)pyrazol-4-yl]piperazine?
The IUPAC name of 1-[5-cyclobutyl-1-(3-methylphenyl)pyrazol-4-yl]piperazine (CID 117210663) is 1-[5-cyclobutyl-1-(3-methylphenyl)pyrazol-4-yl]piperazine.
What is the SMILES notation for 1-[5-cyclobutyl-1-(3-methylphenyl)pyrazol-4-yl]piperazine?
The canonical SMILES for 1-[5-cyclobutyl-1-(3-methylphenyl)pyrazol-4-yl]piperazine is Cc1cccc(-n2ncc(N3CCNCC3)c2C2CCC2)c1.
What is the InChIKey of 1-[5-cyclobutyl-1-(3-methylphenyl)pyrazol-4-yl]piperazine?
The InChIKey is XLXLYSYNPBGIBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4/c1-14-4-2-7-16(12-14)22-18(15-5-3-6-15)17(13-20-22)21-10-8-19-9-11-21/h2,4,7,12-13,15,19H,3,5-6,8-11H2,1H3.
What are the key properties of 1-[5-cyclobutyl-1-(3-methylphenyl)pyrazol-4-yl]piperazine?
1-[5-cyclobutyl-1-(3-methylphenyl)pyrazol-4-yl]piperazine has a molecular weight of 296.42 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-cyclobutyl-1-(3-methylphenyl)pyrazol-4-yl]piperazine is sourced from PubChem (CID 117210663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).