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

C18H23N3O — CID 3574521

IUPAC3-cyclohexyl-1-(4-methoxyphenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
SMILESCOc1ccc(-n2nc(C3CCCCC3)c3c2NCC3)cc1
InChIInChI=1S/C18H23N3O/c1-22-15-9-7-14(8-10-15)21-18-16(11-12-19-18)17(20-21)13-5-3-2-4-6-13/h7-10,13,19H,2-6,11-12H2,1H3
InChIKeyPZWWOPHNIGDQDX-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.90
Rot. Bonds3

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

3-cyclohexyl-1-(4-methoxyphenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole (PubChem CID 3574521) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 3-cyclohexyl-1-(4-methoxyphenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole.

Molecular Properties

Compound Name3-cyclohexyl-1-(4-methoxyphenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
PubChem CID3574521
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name3-cyclohexyl-1-(4-methoxyphenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
SMILESCOc1ccc(-n2nc(C3CCCCC3)c3c2NCC3)cc1
InChIInChI=1S/C18H23N3O/c1-22-15-9-7-14(8-10-15)21-18-16(11-12-19-18)17(20-21)13-5-3-2-4-6-13/h7-10,13,19H,2-6,11-12H2,1H3
InChIKeyPZWWOPHNIGDQDX-UHFFFAOYSA-N
XLogP3.90
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-(4-methoxyphenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole?
The IUPAC name of 3-cyclohexyl-1-(4-methoxyphenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole (CID 3574521) is 3-cyclohexyl-1-(4-methoxyphenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole.
What is the SMILES notation for 3-cyclohexyl-1-(4-methoxyphenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole?
The canonical SMILES for 3-cyclohexyl-1-(4-methoxyphenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole is COc1ccc(-n2nc(C3CCCCC3)c3c2NCC3)cc1.
What is the InChIKey of 3-cyclohexyl-1-(4-methoxyphenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole?
The InChIKey is PZWWOPHNIGDQDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-22-15-9-7-14(8-10-15)21-18-16(11-12-19-18)17(20-21)13-5-3-2-4-6-13/h7-10,13,19H,2-6,11-12H2,1H3.
What are the key properties of 3-cyclohexyl-1-(4-methoxyphenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole?
3-cyclohexyl-1-(4-methoxyphenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole has a molecular weight of 297.40 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-(4-methoxyphenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole is sourced from PubChem (CID 3574521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).