7-butyl-1-ethenyl-3,5,6-trimethylpyrazolo[4,3-b]pyridine

C15H21N3 — CID 142348059

IUPAC7-butyl-1-ethenyl-3,5,6-trimethylpyrazolo[4,3-b]pyridine
SMILESC=Cn1nc(C)c2nc(C)c(C)c(CCCC)c21
InChIInChI=1S/C15H21N3/c1-6-8-9-13-10(3)11(4)16-14-12(5)17-18(7-2)15(13)14/h7H,2,6,8-9H2,1,3-5H3
InChIKeySAQRFCFRHATVPN-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.80
Rot. Bonds4

About 7-butyl-1-ethenyl-3,5,6-trimethylpyrazolo[4,3-b]pyridine

7-butyl-1-ethenyl-3,5,6-trimethylpyrazolo[4,3-b]pyridine (PubChem CID 142348059) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 7-butyl-1-ethenyl-3,5,6-trimethylpyrazolo[4,3-b]pyridine.

Molecular Properties

Compound Name7-butyl-1-ethenyl-3,5,6-trimethylpyrazolo[4,3-b]pyridine
PubChem CID142348059
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name7-butyl-1-ethenyl-3,5,6-trimethylpyrazolo[4,3-b]pyridine
SMILESC=Cn1nc(C)c2nc(C)c(C)c(CCCC)c21
InChIInChI=1S/C15H21N3/c1-6-8-9-13-10(3)11(4)16-14-12(5)17-18(7-2)15(13)14/h7H,2,6,8-9H2,1,3-5H3
InChIKeySAQRFCFRHATVPN-UHFFFAOYSA-N
XLogP3.80
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-3-phenyl-6-(trifluoromethyl)-1H-pyrazolo[4,3-b]pyridine
CID 1480373
(2,5-Dimethyl-3-phenyl-2H-pyrazolo[4,3-b]pyridin-7-yl)-dipropyl-amine
CID 44341455
Dibutyl-[2,5-dimethyl-3-(2,4,6-trimethyl-phenyl)-2H-pyrazolo[4,3-b]pyridin-7-yl]-amine
CID 44341476
Dibutyl-[1,5-dimethyl-3-(2,4,6-trimethyl-phenyl)-1H-pyrazolo[4,3-b]pyridin-7-yl]-amine
CID 44341862
6-ethyl-1,4,5,7-tetramethyl-6H-pyrrolo[3,4-d]pyridazine
CID 935663
1-Isopropyl-3,6-dimethyl-5-phenyl-pyrazolo[4,3-b]pyridine
CID 142608457
3-Methyl-2-phenylpyrazolo[1,5-a]pyridine
CID 610058
6,7-Dimethylpyrazolo(1,5-a)pyridin-4-amine
CID 155819681
5-Methylpyridazino[4,5-b]indole
CID 12584871
3-Ethylpyrazolo-[1,5-a]pyridine
CID 14642238
Pyrazino[1,2-b]indazole
CID 85825327
6-Methyl-2-phenylpyrazolo[1,5-a]pyridine
CID 139039244

Frequently Asked Questions

What is the IUPAC name of 7-butyl-1-ethenyl-3,5,6-trimethylpyrazolo[4,3-b]pyridine?
The IUPAC name of 7-butyl-1-ethenyl-3,5,6-trimethylpyrazolo[4,3-b]pyridine (CID 142348059) is 7-butyl-1-ethenyl-3,5,6-trimethylpyrazolo[4,3-b]pyridine.
What is the SMILES notation for 7-butyl-1-ethenyl-3,5,6-trimethylpyrazolo[4,3-b]pyridine?
The canonical SMILES for 7-butyl-1-ethenyl-3,5,6-trimethylpyrazolo[4,3-b]pyridine is C=Cn1nc(C)c2nc(C)c(C)c(CCCC)c21.
What is the InChIKey of 7-butyl-1-ethenyl-3,5,6-trimethylpyrazolo[4,3-b]pyridine?
The InChIKey is SAQRFCFRHATVPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-6-8-9-13-10(3)11(4)16-14-12(5)17-18(7-2)15(13)14/h7H,2,6,8-9H2,1,3-5H3.
What are the key properties of 7-butyl-1-ethenyl-3,5,6-trimethylpyrazolo[4,3-b]pyridine?
7-butyl-1-ethenyl-3,5,6-trimethylpyrazolo[4,3-b]pyridine has a molecular weight of 243.35 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-butyl-1-ethenyl-3,5,6-trimethylpyrazolo[4,3-b]pyridine is sourced from PubChem (CID 142348059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).