3-cyclohexyl-1-(2-ethoxyphenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole

C19H25N3O — CID 4017946

IUPAC3-cyclohexyl-1-(2-ethoxyphenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
SMILESCCOc1ccccc1-n1nc(C2CCCCC2)c2c1NCC2
InChIInChI=1S/C19H25N3O/c1-2-23-17-11-7-6-10-16(17)22-19-15(12-13-20-19)18(21-22)14-8-4-3-5-9-14/h6-7,10-11,14,20H,2-5,8-9,12-13H2,1H3
InChIKeyHDNLRVIHPUERHP-UHFFFAOYSA-N
MW311.43 g/mol
LogP4.29
Rot. Bonds4

About 3-cyclohexyl-1-(2-ethoxyphenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole

3-cyclohexyl-1-(2-ethoxyphenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole (PubChem CID 4017946) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is 3-cyclohexyl-1-(2-ethoxyphenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole.

Molecular Properties

Compound Name3-cyclohexyl-1-(2-ethoxyphenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
PubChem CID4017946
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name3-cyclohexyl-1-(2-ethoxyphenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
SMILESCCOc1ccccc1-n1nc(C2CCCCC2)c2c1NCC2
InChIInChI=1S/C19H25N3O/c1-2-23-17-11-7-6-10-16(17)22-19-15(12-13-20-19)18(21-22)14-8-4-3-5-9-14/h6-7,10-11,14,20H,2-5,8-9,12-13H2,1H3
InChIKeyHDNLRVIHPUERHP-UHFFFAOYSA-N
XLogP4.29
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-(2-ethoxyphenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole?
The IUPAC name of 3-cyclohexyl-1-(2-ethoxyphenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole (CID 4017946) is 3-cyclohexyl-1-(2-ethoxyphenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole.
What is the SMILES notation for 3-cyclohexyl-1-(2-ethoxyphenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole?
The canonical SMILES for 3-cyclohexyl-1-(2-ethoxyphenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole is CCOc1ccccc1-n1nc(C2CCCCC2)c2c1NCC2.
What is the InChIKey of 3-cyclohexyl-1-(2-ethoxyphenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole?
The InChIKey is HDNLRVIHPUERHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-2-23-17-11-7-6-10-16(17)22-19-15(12-13-20-19)18(21-22)14-8-4-3-5-9-14/h6-7,10-11,14,20H,2-5,8-9,12-13H2,1H3.
What are the key properties of 3-cyclohexyl-1-(2-ethoxyphenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole?
3-cyclohexyl-1-(2-ethoxyphenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole has a molecular weight of 311.43 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-(2-ethoxyphenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole is sourced from PubChem (CID 4017946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).