1-cyclopentyl-4-ethyl-3,5-bis(4-methoxyphenyl)pyrazole

C24H28N2O2 — CID 19587444

IUPAC1-cyclopentyl-4-ethyl-3,5-bis(4-methoxyphenyl)pyrazole
SMILESCCc1c(-c2ccc(OC)cc2)nn(C2CCCC2)c1-c1ccc(OC)cc1
InChIInChI=1S/C24H28N2O2/c1-4-22-23(17-9-13-20(27-2)14-10-17)25-26(19-7-5-6-8-19)24(22)18-11-15-21(28-3)16-12-18/h9-16,19H,4-8H2,1-3H3
InChIKeyYUKBPMYPMRKHTD-UHFFFAOYSA-N
MW376.50 g/mol
LogP5.91
Rot. Bonds6

About 1-cyclopentyl-4-ethyl-3,5-bis(4-methoxyphenyl)pyrazole

1-cyclopentyl-4-ethyl-3,5-bis(4-methoxyphenyl)pyrazole (PubChem CID 19587444) has the molecular formula C24H28N2O2 and a molecular weight of 376.50 g/mol. Its IUPAC name is 1-cyclopentyl-4-ethyl-3,5-bis(4-methoxyphenyl)pyrazole.

Molecular Properties

Compound Name1-cyclopentyl-4-ethyl-3,5-bis(4-methoxyphenyl)pyrazole
PubChem CID19587444
Molecular FormulaC24H28N2O2
Molecular Weight376.50 g/mol
Exact Mass376.22
IUPAC Name1-cyclopentyl-4-ethyl-3,5-bis(4-methoxyphenyl)pyrazole
SMILESCCc1c(-c2ccc(OC)cc2)nn(C2CCCC2)c1-c1ccc(OC)cc1
InChIInChI=1S/C24H28N2O2/c1-4-22-23(17-9-13-20(27-2)14-10-17)25-26(19-7-5-6-8-19)24(22)18-11-15-21(28-3)16-12-18/h9-16,19H,4-8H2,1-3H3
InChIKeyYUKBPMYPMRKHTD-UHFFFAOYSA-N
XLogP5.91
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.50
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-ethyl-3,5-bis(4-methoxyphenyl)pyrazole?
The IUPAC name of 1-cyclopentyl-4-ethyl-3,5-bis(4-methoxyphenyl)pyrazole (CID 19587444) is 1-cyclopentyl-4-ethyl-3,5-bis(4-methoxyphenyl)pyrazole.
What is the SMILES notation for 1-cyclopentyl-4-ethyl-3,5-bis(4-methoxyphenyl)pyrazole?
The canonical SMILES for 1-cyclopentyl-4-ethyl-3,5-bis(4-methoxyphenyl)pyrazole is CCc1c(-c2ccc(OC)cc2)nn(C2CCCC2)c1-c1ccc(OC)cc1.
What is the InChIKey of 1-cyclopentyl-4-ethyl-3,5-bis(4-methoxyphenyl)pyrazole?
The InChIKey is YUKBPMYPMRKHTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O2/c1-4-22-23(17-9-13-20(27-2)14-10-17)25-26(19-7-5-6-8-19)24(22)18-11-15-21(28-3)16-12-18/h9-16,19H,4-8H2,1-3H3.
What are the key properties of 1-cyclopentyl-4-ethyl-3,5-bis(4-methoxyphenyl)pyrazole?
1-cyclopentyl-4-ethyl-3,5-bis(4-methoxyphenyl)pyrazole has a molecular weight of 376.50 g/mol, XLogP of 5.91, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-ethyl-3,5-bis(4-methoxyphenyl)pyrazole is sourced from PubChem (CID 19587444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).