6-(2-bromoprop-2-enyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine

C9H12BrN3 — CID 130734822

IUPAC6-(2-bromoprop-2-enyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine
SMILESC=C(Br)CN1CCc2cn[nH]c2C1
InChIInChI=1S/C9H12BrN3/c1-7(10)5-13-3-2-8-4-11-12-9(8)6-13/h4H,1-3,5-6H2,(H,11,12)
InChIKeyBUPZBVIYYQZKGO-UHFFFAOYSA-N
MW242.12 g/mol
LogP1.68
Rot. Bonds2

About 6-(2-bromoprop-2-enyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine

6-(2-bromoprop-2-enyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine (PubChem CID 130734822) has the molecular formula C9H12BrN3 and a molecular weight of 242.12 g/mol. Its IUPAC name is 6-(2-bromoprop-2-enyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine.

Molecular Properties

Compound Name6-(2-bromoprop-2-enyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine
PubChem CID130734822
Molecular FormulaC9H12BrN3
Molecular Weight242.12 g/mol
Exact Mass241.02
IUPAC Name6-(2-bromoprop-2-enyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine
SMILESC=C(Br)CN1CCc2cn[nH]c2C1
InChIInChI=1S/C9H12BrN3/c1-7(10)5-13-3-2-8-4-11-12-9(8)6-13/h4H,1-3,5-6H2,(H,11,12)
InChIKeyBUPZBVIYYQZKGO-UHFFFAOYSA-N
XLogP1.68
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.12
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)acetonitrile
CID 131084001
1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxamide
CID 130658981
ethyl 4-[2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)acetyl]piperazine-1-carboxylate
CID 71875284
6-iodo-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepine
CID 154470853
ethane;ethene;bis(6-propan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine)
CID 162282838
N-(oxolan-2-ylmethyl)-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)acetamide
CID 91829871
5-bromo-1-[2-oxo-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethyl]pyridin-2-one
CID 154738238
5-[[4-(2,2,2-trifluoroethyl)phenyl]methyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine
CID 167838263
1-phenyl-2-(1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)ethane-1,2-diimine
CID 123382339
[4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carbonyl)-1-bicyclo[2.2.2]octanyl]-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone
CID 166234515
1,3-dimethyl-6-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)pyrimidine-2,4-dione
CID 127333633
1-methyl-3-[2-oxo-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethyl]benzimidazol-2-one
CID 86859714

Frequently Asked Questions

What is the IUPAC name of 6-(2-bromoprop-2-enyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine?
The IUPAC name of 6-(2-bromoprop-2-enyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine (CID 130734822) is 6-(2-bromoprop-2-enyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine.
What is the SMILES notation for 6-(2-bromoprop-2-enyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine?
The canonical SMILES for 6-(2-bromoprop-2-enyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine is C=C(Br)CN1CCc2cn[nH]c2C1.
What is the InChIKey of 6-(2-bromoprop-2-enyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine?
The InChIKey is BUPZBVIYYQZKGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN3/c1-7(10)5-13-3-2-8-4-11-12-9(8)6-13/h4H,1-3,5-6H2,(H,11,12).
What are the key properties of 6-(2-bromoprop-2-enyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine?
6-(2-bromoprop-2-enyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine has a molecular weight of 242.12 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-bromoprop-2-enyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine is sourced from PubChem (CID 130734822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).