1-methyl-4-pyrazol-1-id-3-yl-2,3-dihydropyrrolo[2,3-b]pyridine

C11H11N4- — CID 166017075

IUPAC1-methyl-4-pyrazol-1-id-3-yl-2,3-dihydropyrrolo[2,3-b]pyridine
SMILESCN1CCc2c(-c3cc[n-]n3)ccnc21
InChIInChI=1S/C11H11N4/c1-15-7-4-9-8(2-5-12-11(9)15)10-3-6-13-14-10/h2-3,5-6H,4,7H2,1H3/q-1
InChIKeyDKGWJCIGUXQQCI-UHFFFAOYSA-N
MW199.24 g/mol
LogP1.09
Rot. Bonds1

About 1-methyl-4-pyrazol-1-id-3-yl-2,3-dihydropyrrolo[2,3-b]pyridine

1-methyl-4-pyrazol-1-id-3-yl-2,3-dihydropyrrolo[2,3-b]pyridine (PubChem CID 166017075) has the molecular formula C11H11N4- and a molecular weight of 199.24 g/mol. Its IUPAC name is 1-methyl-4-pyrazol-1-id-3-yl-2,3-dihydropyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name1-methyl-4-pyrazol-1-id-3-yl-2,3-dihydropyrrolo[2,3-b]pyridine
PubChem CID166017075
Molecular FormulaC11H11N4-
Molecular Weight199.24 g/mol
Exact Mass199.10
IUPAC Name1-methyl-4-pyrazol-1-id-3-yl-2,3-dihydropyrrolo[2,3-b]pyridine
SMILESCN1CCc2c(-c3cc[n-]n3)ccnc21
InChIInChI=1S/C11H11N4/c1-15-7-4-9-8(2-5-12-11(9)15)10-3-6-13-14-10/h2-3,5-6H,4,7H2,1H3/q-1
InChIKeyDKGWJCIGUXQQCI-UHFFFAOYSA-N
XLogP1.09
TPSA43.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.24
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-1-methyl-2,3-dihydropyrrolo[2,3-b]pyridine
CID 118992161
(1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl)methanol
CID 77230994
6-(1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl)-2-pyrimidin-2-ylphthalazin-1-one
CID 166126387
ethane;1-methyl-2,3-dihydropyrrolo[2,3-b]pyridine
CID 143469071
ethane;1-methyl-5-[2-(1-methylcyclopropyl)ethynyl]-3,4-dihydro-2H-1,8-naphthyridine
CID 156800352
3-[(1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl)methyl]piperidine-2,6-dione
CID 161114732
ethane;1-methyl-3,4-dihydro-2H-1,8-naphthyridine
CID 91237685
4-ethoxy-1-methyl-2,3-dihydropyrrolo[2,3-b]quinoline
CID 23269827
4,8-dimethyl-2,3-dihydropyrido[3,2-b][1,4]oxazine;ethane
CID 165400217
1-methyl-6-pyrimidin-4-yl-3,4-dihydro-2H-quinoline-7-carbonitrile
CID 121385708
5,8-dimethyl-6,7-dihydropyrazino[2,3-c]pyridazine
CID 132580046
5,13-dimethyl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),9,11-tetraene
CID 170017695

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-pyrazol-1-id-3-yl-2,3-dihydropyrrolo[2,3-b]pyridine?
The IUPAC name of 1-methyl-4-pyrazol-1-id-3-yl-2,3-dihydropyrrolo[2,3-b]pyridine (CID 166017075) is 1-methyl-4-pyrazol-1-id-3-yl-2,3-dihydropyrrolo[2,3-b]pyridine.
What is the SMILES notation for 1-methyl-4-pyrazol-1-id-3-yl-2,3-dihydropyrrolo[2,3-b]pyridine?
The canonical SMILES for 1-methyl-4-pyrazol-1-id-3-yl-2,3-dihydropyrrolo[2,3-b]pyridine is CN1CCc2c(-c3cc[n-]n3)ccnc21.
What is the InChIKey of 1-methyl-4-pyrazol-1-id-3-yl-2,3-dihydropyrrolo[2,3-b]pyridine?
The InChIKey is DKGWJCIGUXQQCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N4/c1-15-7-4-9-8(2-5-12-11(9)15)10-3-6-13-14-10/h2-3,5-6H,4,7H2,1H3/q-1.
What are the key properties of 1-methyl-4-pyrazol-1-id-3-yl-2,3-dihydropyrrolo[2,3-b]pyridine?
1-methyl-4-pyrazol-1-id-3-yl-2,3-dihydropyrrolo[2,3-b]pyridine has a molecular weight of 199.24 g/mol, XLogP of 1.09, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-pyrazol-1-id-3-yl-2,3-dihydropyrrolo[2,3-b]pyridine is sourced from PubChem (CID 166017075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).