1-(4,5-dimethyl-1H-pyrazol-3-yl)-3-methylpyrrolo[2,3-b]pyridine

C13H14N4 — CID 154231844

IUPAC1-(4,5-dimethyl-1H-pyrazol-3-yl)-3-methylpyrrolo[2,3-b]pyridine
SMILESCc1[nH]nc(-n2cc(C)c3cccnc32)c1C
InChIInChI=1S/C13H14N4/c1-8-7-17(12-9(2)10(3)15-16-12)13-11(8)5-4-6-14-13/h4-7H,1-3H3,(H,15,16)
InChIKeyBDNCLAOHIFXUEO-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.67
Rot. Bonds1

About 1-(4,5-dimethyl-1H-pyrazol-3-yl)-3-methylpyrrolo[2,3-b]pyridine

1-(4,5-dimethyl-1H-pyrazol-3-yl)-3-methylpyrrolo[2,3-b]pyridine (PubChem CID 154231844) has the molecular formula C13H14N4 and a molecular weight of 226.28 g/mol. Its IUPAC name is 1-(4,5-dimethyl-1H-pyrazol-3-yl)-3-methylpyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name1-(4,5-dimethyl-1H-pyrazol-3-yl)-3-methylpyrrolo[2,3-b]pyridine
PubChem CID154231844
Molecular FormulaC13H14N4
Molecular Weight226.28 g/mol
Exact Mass226.12
IUPAC Name1-(4,5-dimethyl-1H-pyrazol-3-yl)-3-methylpyrrolo[2,3-b]pyridine
SMILESCc1[nH]nc(-n2cc(C)c3cccnc32)c1C
InChIInChI=1S/C13H14N4/c1-8-7-17(12-9(2)10(3)15-16-12)13-11(8)5-4-6-14-13/h4-7H,1-3H3,(H,15,16)
InChIKeyBDNCLAOHIFXUEO-UHFFFAOYSA-N
XLogP2.67
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxyphenyl)-3-methylpyrrolo[2,3-b]pyridine
CID 102389456
3-methyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolo[2,3-b]pyridine
CID 11843029
2-(3-methylpyrrolo[2,3-b]pyridin-1-yl)-N,N-bis[2-(3-methylpyrrolo[2,3-b]pyridin-1-yl)ethyl]ethanamine
CID 11843178
[methyl-(3-methylpyrrolo[2,3-b]pyridin-1-yl)phosphanyl] thiohypoiodite
CID 143712701
1,2-dimethylpyrrolo[2,3-b]pyridin-3-amine
CID 82415409
1-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,3-b]pyridine
CID 141216147
3-[1,3-dimethyl-5-(3-methylpyrrolo[2,3-b]pyridin-1-yl)pyrazol-4-yl]prop-2-enoic acid
CID 66859874
4-hydroxy-1,3-dimethyl-1,8-naphthyridin-2-one
CID 54702806
ethane;3-methyl-2H-pyrazolo[3,4-b]pyridine;propane
CID 143179270
9-methylpyrido[2,3-b]indole
CID 12596580
5,7,9-trimethylpyrido[2,3-b]indole
CID 20672284
3,4-dimethyl-1-(3-methyl-2-pyridinyl)pyrrole-2,5-dione
CID 45093444

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethyl-1H-pyrazol-3-yl)-3-methylpyrrolo[2,3-b]pyridine?
The IUPAC name of 1-(4,5-dimethyl-1H-pyrazol-3-yl)-3-methylpyrrolo[2,3-b]pyridine (CID 154231844) is 1-(4,5-dimethyl-1H-pyrazol-3-yl)-3-methylpyrrolo[2,3-b]pyridine.
What is the SMILES notation for 1-(4,5-dimethyl-1H-pyrazol-3-yl)-3-methylpyrrolo[2,3-b]pyridine?
The canonical SMILES for 1-(4,5-dimethyl-1H-pyrazol-3-yl)-3-methylpyrrolo[2,3-b]pyridine is Cc1[nH]nc(-n2cc(C)c3cccnc32)c1C.
What is the InChIKey of 1-(4,5-dimethyl-1H-pyrazol-3-yl)-3-methylpyrrolo[2,3-b]pyridine?
The InChIKey is BDNCLAOHIFXUEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4/c1-8-7-17(12-9(2)10(3)15-16-12)13-11(8)5-4-6-14-13/h4-7H,1-3H3,(H,15,16).
What are the key properties of 1-(4,5-dimethyl-1H-pyrazol-3-yl)-3-methylpyrrolo[2,3-b]pyridine?
1-(4,5-dimethyl-1H-pyrazol-3-yl)-3-methylpyrrolo[2,3-b]pyridine has a molecular weight of 226.28 g/mol, XLogP of 2.67, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethyl-1H-pyrazol-3-yl)-3-methylpyrrolo[2,3-b]pyridine is sourced from PubChem (CID 154231844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).