1-(4-chlorophenyl)-3-(1-ethylpiperidin-4-yl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole

C18H23ClN4 — CID 4018339

IUPAC1-(4-chlorophenyl)-3-(1-ethylpiperidin-4-yl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
SMILESCCN1CCC(c2nn(-c3ccc(Cl)cc3)c3c2CCN3)CC1
InChIInChI=1S/C18H23ClN4/c1-2-22-11-8-13(9-12-22)17-16-7-10-20-18(16)23(21-17)15-5-3-14(19)4-6-15/h3-6,13,20H,2,7-12H2,1H3
InChIKeyRFAZXIYLWJYUBT-UHFFFAOYSA-N
MW330.86 g/mol
LogP3.69
Rot. Bonds3

About 1-(4-chlorophenyl)-3-(1-ethylpiperidin-4-yl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole

1-(4-chlorophenyl)-3-(1-ethylpiperidin-4-yl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole (PubChem CID 4018339) has the molecular formula C18H23ClN4 and a molecular weight of 330.86 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(1-ethylpiperidin-4-yl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(1-ethylpiperidin-4-yl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
PubChem CID4018339
Molecular FormulaC18H23ClN4
Molecular Weight330.86 g/mol
Exact Mass330.16
IUPAC Name1-(4-chlorophenyl)-3-(1-ethylpiperidin-4-yl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
SMILESCCN1CCC(c2nn(-c3ccc(Cl)cc3)c3c2CCN3)CC1
InChIInChI=1S/C18H23ClN4/c1-2-22-11-8-13(9-12-22)17-16-7-10-20-18(16)23(21-17)15-5-3-14(19)4-6-15/h3-6,13,20H,2,7-12H2,1H3
InChIKeyRFAZXIYLWJYUBT-UHFFFAOYSA-N
XLogP3.69
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.86
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(1-ethylpiperidin-4-yl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole?
The IUPAC name of 1-(4-chlorophenyl)-3-(1-ethylpiperidin-4-yl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole (CID 4018339) is 1-(4-chlorophenyl)-3-(1-ethylpiperidin-4-yl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(1-ethylpiperidin-4-yl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole?
The canonical SMILES for 1-(4-chlorophenyl)-3-(1-ethylpiperidin-4-yl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole is CCN1CCC(c2nn(-c3ccc(Cl)cc3)c3c2CCN3)CC1.
What is the InChIKey of 1-(4-chlorophenyl)-3-(1-ethylpiperidin-4-yl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole?
The InChIKey is RFAZXIYLWJYUBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4/c1-2-22-11-8-13(9-12-22)17-16-7-10-20-18(16)23(21-17)15-5-3-14(19)4-6-15/h3-6,13,20H,2,7-12H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-3-(1-ethylpiperidin-4-yl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole?
1-(4-chlorophenyl)-3-(1-ethylpiperidin-4-yl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole has a molecular weight of 330.86 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-(1-ethylpiperidin-4-yl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole is sourced from PubChem (CID 4018339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).