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

C11H12N4 — CID 4561761

IUPAC1-methyl-3-pyridin-3-yl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
SMILESCn1nc(-c2cccnc2)c2c1NCC2
InChIInChI=1S/C11H12N4/c1-15-11-9(4-6-13-11)10(14-15)8-3-2-5-12-7-8/h2-3,5,7,13H,4,6H2,1H3
InChIKeyLWCNSTUCYZVFDQ-UHFFFAOYSA-N
MW200.25 g/mol
LogP1.45
Rot. Bonds1

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

1-methyl-3-pyridin-3-yl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole (PubChem CID 4561761) has the molecular formula C11H12N4 and a molecular weight of 200.25 g/mol. Its IUPAC name is 1-methyl-3-pyridin-3-yl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole.

Molecular Properties

Compound Name1-methyl-3-pyridin-3-yl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
PubChem CID4561761
Molecular FormulaC11H12N4
Molecular Weight200.25 g/mol
Exact Mass200.11
IUPAC Name1-methyl-3-pyridin-3-yl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
SMILESCn1nc(-c2cccnc2)c2c1NCC2
InChIInChI=1S/C11H12N4/c1-15-11-9(4-6-13-11)10(14-15)8-3-2-5-12-7-8/h2-3,5,7,13H,4,6H2,1H3
InChIKeyLWCNSTUCYZVFDQ-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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Related Compounds

1-methyl-3-pyridin-4-yl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 4561760
1-(4-methylphenyl)-3-pyridin-3-yl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 3952494
1-(4-chlorophenyl)-3-pyridin-3-yl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 4590575
1-methyl-3-pyridin-4-yl-5,6,7,8-tetrahydro-4H-pyrazolo[5,4-b]azepine
CID 4687311
3-pyridin-3-yl-5,6,7,8-tetrahydro-4H-pyrazolo[5,4-b]azepine-1-carbothioamide
CID 3959320
3-(3-bromophenyl)-1-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[5,4-b]azepine
CID 4613171
3-(5-bromo-3-pyridinyl)-1-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[5,4-b]azepine
CID 3971718
3-[4-chloro-3-(trifluoromethyl)phenyl]-1-methyl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 4301714
3-(4-bromo-1,5-dimethylpyrazol-3-yl)pyridine
CID 83728159
1-(3-chlorophenyl)-3-pyridin-3-yl-5,6,7,8-tetrahydro-4H-pyrazolo[5,4-b]azepine
CID 4572183
1-methyl-3-thiophen-3-yl-5,6,7,8-tetrahydro-4H-pyrazolo[5,4-b]azepine
CID 3994174
2-methyl-4-pyridin-3-ylphthalazin-1-one
CID 10060065

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-pyridin-3-yl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole?
The IUPAC name of 1-methyl-3-pyridin-3-yl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole (CID 4561761) is 1-methyl-3-pyridin-3-yl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole.
What is the SMILES notation for 1-methyl-3-pyridin-3-yl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole?
The canonical SMILES for 1-methyl-3-pyridin-3-yl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole is Cn1nc(-c2cccnc2)c2c1NCC2.
What is the InChIKey of 1-methyl-3-pyridin-3-yl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole?
The InChIKey is LWCNSTUCYZVFDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4/c1-15-11-9(4-6-13-11)10(14-15)8-3-2-5-12-7-8/h2-3,5,7,13H,4,6H2,1H3.
What are the key properties of 1-methyl-3-pyridin-3-yl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole?
1-methyl-3-pyridin-3-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-3-yl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole is sourced from PubChem (CID 4561761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).