1-methyl-3-pyridin-4-yl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole

C11H12N4 — CID 4561760

IUPAC1-methyl-3-pyridin-4-yl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
SMILESCn1nc(-c2ccncc2)c2c1NCC2
InChIInChI=1S/C11H12N4/c1-15-11-9(4-7-13-11)10(14-15)8-2-5-12-6-3-8/h2-3,5-6,13H,4,7H2,1H3
InChIKeyCOTDTRMWIVAKEO-UHFFFAOYSA-N
MW200.25 g/mol
LogP1.45
Rot. Bonds1

About 1-methyl-3-pyridin-4-yl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole

1-methyl-3-pyridin-4-yl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole (PubChem CID 4561760) has the molecular formula C11H12N4 and a molecular weight of 200.25 g/mol. Its IUPAC name is 1-methyl-3-pyridin-4-yl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole.

Molecular Properties

Compound Name1-methyl-3-pyridin-4-yl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
PubChem CID4561760
Molecular FormulaC11H12N4
Molecular Weight200.25 g/mol
Exact Mass200.11
IUPAC Name1-methyl-3-pyridin-4-yl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
SMILESCn1nc(-c2ccncc2)c2c1NCC2
InChIInChI=1S/C11H12N4/c1-15-11-9(4-7-13-11)10(14-15)8-2-5-12-6-3-8/h2-3,5-6,13H,4,7H2,1H3
InChIKeyCOTDTRMWIVAKEO-UHFFFAOYSA-N
XLogP1.45
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.25
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-pyridin-4-yl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole?
The IUPAC name of 1-methyl-3-pyridin-4-yl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole (CID 4561760) is 1-methyl-3-pyridin-4-yl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole.
What is the SMILES notation for 1-methyl-3-pyridin-4-yl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole?
The canonical SMILES for 1-methyl-3-pyridin-4-yl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole is Cn1nc(-c2ccncc2)c2c1NCC2.
What is the InChIKey of 1-methyl-3-pyridin-4-yl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole?
The InChIKey is COTDTRMWIVAKEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4/c1-15-11-9(4-7-13-11)10(14-15)8-2-5-12-6-3-8/h2-3,5-6,13H,4,7H2,1H3.
What are the key properties of 1-methyl-3-pyridin-4-yl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole?
1-methyl-3-pyridin-4-yl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole has a molecular weight of 200.25 g/mol, XLogP of 1.45, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-pyridin-4-yl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole is sourced from PubChem (CID 4561760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).