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

C9H11N5 — CID 96625350

IUPAC2-(5-methyl-1H-pyrazol-3-yl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole
SMILESCc1cc(-n2cc3c(n2)CNC3)n[nH]1
InChIInChI=1S/C9H11N5/c1-6-2-9(12-11-6)14-5-7-3-10-4-8(7)13-14/h2,5,10H,3-4H2,1H3,(H,11,12)
InChIKeyLKXHAXVVAKWEMR-UHFFFAOYSA-N
MW189.22 g/mol
LogP0.51
Rot. Bonds1

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

2-(5-methyl-1H-pyrazol-3-yl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole (PubChem CID 96625350) has the molecular formula C9H11N5 and a molecular weight of 189.22 g/mol. Its IUPAC name is 2-(5-methyl-1H-pyrazol-3-yl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole.

Molecular Properties

Compound Name2-(5-methyl-1H-pyrazol-3-yl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole
PubChem CID96625350
Molecular FormulaC9H11N5
Molecular Weight189.22 g/mol
Exact Mass189.10
IUPAC Name2-(5-methyl-1H-pyrazol-3-yl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole
SMILESCc1cc(-n2cc3c(n2)CNC3)n[nH]1
InChIInChI=1S/C9H11N5/c1-6-2-9(12-11-6)14-5-7-3-10-4-8(7)13-14/h2,5,10H,3-4H2,1H3,(H,11,12)
InChIKeyLKXHAXVVAKWEMR-UHFFFAOYSA-N
XLogP0.51
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1H-pyrazol-3-yl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole?
The IUPAC name of 2-(5-methyl-1H-pyrazol-3-yl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole (CID 96625350) is 2-(5-methyl-1H-pyrazol-3-yl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole.
What is the SMILES notation for 2-(5-methyl-1H-pyrazol-3-yl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole?
The canonical SMILES for 2-(5-methyl-1H-pyrazol-3-yl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole is Cc1cc(-n2cc3c(n2)CNC3)n[nH]1.
What is the InChIKey of 2-(5-methyl-1H-pyrazol-3-yl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole?
The InChIKey is LKXHAXVVAKWEMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5/c1-6-2-9(12-11-6)14-5-7-3-10-4-8(7)13-14/h2,5,10H,3-4H2,1H3,(H,11,12).
What are the key properties of 2-(5-methyl-1H-pyrazol-3-yl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole?
2-(5-methyl-1H-pyrazol-3-yl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole has a molecular weight of 189.22 g/mol, XLogP of 0.51, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1H-pyrazol-3-yl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole is sourced from PubChem (CID 96625350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).