3-ethyl-2-(1H-pyrazol-5-yl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole

C10H13N5 — CID 118614122

IUPAC3-ethyl-2-(1H-pyrazol-5-yl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole
SMILESCCn1c(-c2ccn[nH]2)nc2c1CNC2
InChIInChI=1S/C10H13N5/c1-2-15-9-6-11-5-8(9)13-10(15)7-3-4-12-14-7/h3-4,11H,2,5-6H2,1H3,(H,12,14)
InChIKeyOGJLSUXNLLDJTA-UHFFFAOYSA-N
MW203.25 g/mol
LogP0.90
Rot. Bonds2

About 3-ethyl-2-(1H-pyrazol-5-yl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole

3-ethyl-2-(1H-pyrazol-5-yl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole (PubChem CID 118614122) has the molecular formula C10H13N5 and a molecular weight of 203.25 g/mol. Its IUPAC name is 3-ethyl-2-(1H-pyrazol-5-yl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole.

Molecular Properties

Compound Name3-ethyl-2-(1H-pyrazol-5-yl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole
PubChem CID118614122
Molecular FormulaC10H13N5
Molecular Weight203.25 g/mol
Exact Mass203.12
IUPAC Name3-ethyl-2-(1H-pyrazol-5-yl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole
SMILESCCn1c(-c2ccn[nH]2)nc2c1CNC2
InChIInChI=1S/C10H13N5/c1-2-15-9-6-11-5-8(9)13-10(15)7-3-4-12-14-7/h3-4,11H,2,5-6H2,1H3,(H,12,14)
InChIKeyOGJLSUXNLLDJTA-UHFFFAOYSA-N
XLogP0.90
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-(1H-pyrazol-5-yl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole?
The IUPAC name of 3-ethyl-2-(1H-pyrazol-5-yl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole (CID 118614122) is 3-ethyl-2-(1H-pyrazol-5-yl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole.
What is the SMILES notation for 3-ethyl-2-(1H-pyrazol-5-yl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole?
The canonical SMILES for 3-ethyl-2-(1H-pyrazol-5-yl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole is CCn1c(-c2ccn[nH]2)nc2c1CNC2.
What is the InChIKey of 3-ethyl-2-(1H-pyrazol-5-yl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole?
The InChIKey is OGJLSUXNLLDJTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5/c1-2-15-9-6-11-5-8(9)13-10(15)7-3-4-12-14-7/h3-4,11H,2,5-6H2,1H3,(H,12,14).
What are the key properties of 3-ethyl-2-(1H-pyrazol-5-yl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole?
3-ethyl-2-(1H-pyrazol-5-yl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole has a molecular weight of 203.25 g/mol, XLogP of 0.90, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-(1H-pyrazol-5-yl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole is sourced from PubChem (CID 118614122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).