1-[[1-cyclohexyl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]-4-methylpiperazine

C24H36N4 — CID 155529873

IUPAC1-[[1-cyclohexyl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]-4-methylpiperazine
SMILESCC(C)c1ccc(-c2cc(CN3CCN(C)CC3)nn2C2CCCCC2)cc1
InChIInChI=1S/C24H36N4/c1-19(2)20-9-11-21(12-10-20)24-17-22(18-27-15-13-26(3)14-16-27)25-28(24)23-7-5-4-6-8-23/h9-12,17,19,23H,4-8,13-16,18H2,1-3H3
InChIKeyFNSQWLQVEQHGLQ-UHFFFAOYSA-N
MW380.58 g/mol
LogP4.93
Rot. Bonds5

About 1-[[1-cyclohexyl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]-4-methylpiperazine

1-[[1-cyclohexyl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]-4-methylpiperazine (PubChem CID 155529873) has the molecular formula C24H36N4 and a molecular weight of 380.58 g/mol. Its IUPAC name is 1-[[1-cyclohexyl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[[1-cyclohexyl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]-4-methylpiperazine
PubChem CID155529873
Molecular FormulaC24H36N4
Molecular Weight380.58 g/mol
Exact Mass380.29
IUPAC Name1-[[1-cyclohexyl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]-4-methylpiperazine
SMILESCC(C)c1ccc(-c2cc(CN3CCN(C)CC3)nn2C2CCCCC2)cc1
InChIInChI=1S/C24H36N4/c1-19(2)20-9-11-21(12-10-20)24-17-22(18-27-15-13-26(3)14-16-27)25-28(24)23-7-5-4-6-8-23/h9-12,17,19,23H,4-8,13-16,18H2,1-3H3
InChIKeyFNSQWLQVEQHGLQ-UHFFFAOYSA-N
XLogP4.93
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.58
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-cyclohexyl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]-4-methylpiperazine?
The IUPAC name of 1-[[1-cyclohexyl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]-4-methylpiperazine (CID 155529873) is 1-[[1-cyclohexyl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]-4-methylpiperazine.
What is the SMILES notation for 1-[[1-cyclohexyl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]-4-methylpiperazine?
The canonical SMILES for 1-[[1-cyclohexyl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]-4-methylpiperazine is CC(C)c1ccc(-c2cc(CN3CCN(C)CC3)nn2C2CCCCC2)cc1.
What is the InChIKey of 1-[[1-cyclohexyl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]-4-methylpiperazine?
The InChIKey is FNSQWLQVEQHGLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N4/c1-19(2)20-9-11-21(12-10-20)24-17-22(18-27-15-13-26(3)14-16-27)25-28(24)23-7-5-4-6-8-23/h9-12,17,19,23H,4-8,13-16,18H2,1-3H3.
What are the key properties of 1-[[1-cyclohexyl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]-4-methylpiperazine?
1-[[1-cyclohexyl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]-4-methylpiperazine has a molecular weight of 380.58 g/mol, XLogP of 4.93, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-cyclohexyl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]-4-methylpiperazine is sourced from PubChem (CID 155529873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).