3-benzyl-1-ethyl-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole

C14H17N3 — CID 5025153

IUPAC3-benzyl-1-ethyl-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
SMILESCCn1nc(Cc2ccccc2)c2c1NCC2
InChIInChI=1S/C14H17N3/c1-2-17-14-12(8-9-15-14)13(16-17)10-11-6-4-3-5-7-11/h3-7,15H,2,8-10H2,1H3
InChIKeyNWMKCFFYZGHCFX-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.46
Rot. Bonds3

About 3-benzyl-1-ethyl-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole

3-benzyl-1-ethyl-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole (PubChem CID 5025153) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 3-benzyl-1-ethyl-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole.

Molecular Properties

Compound Name3-benzyl-1-ethyl-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
PubChem CID5025153
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name3-benzyl-1-ethyl-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
SMILESCCn1nc(Cc2ccccc2)c2c1NCC2
InChIInChI=1S/C14H17N3/c1-2-17-14-12(8-9-15-14)13(16-17)10-11-6-4-3-5-7-11/h3-7,15H,2,8-10H2,1H3
InChIKeyNWMKCFFYZGHCFX-UHFFFAOYSA-N
XLogP2.46
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1-ethyl-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole?
The IUPAC name of 3-benzyl-1-ethyl-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole (CID 5025153) is 3-benzyl-1-ethyl-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole.
What is the SMILES notation for 3-benzyl-1-ethyl-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole?
The canonical SMILES for 3-benzyl-1-ethyl-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole is CCn1nc(Cc2ccccc2)c2c1NCC2.
What is the InChIKey of 3-benzyl-1-ethyl-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole?
The InChIKey is NWMKCFFYZGHCFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-2-17-14-12(8-9-15-14)13(16-17)10-11-6-4-3-5-7-11/h3-7,15H,2,8-10H2,1H3.
What are the key properties of 3-benzyl-1-ethyl-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole?
3-benzyl-1-ethyl-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole has a molecular weight of 227.31 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1-ethyl-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole is sourced from PubChem (CID 5025153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).