2-(3-bromo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)pyrazol-3-amine

C10H12BrN5 — CID 54205634

IUPAC2-(3-bromo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)pyrazol-3-amine
SMILESNc1ccnn1-c1nn2c(c1Br)CCCC2
InChIInChI=1S/C10H12BrN5/c11-9-7-3-1-2-6-15(7)14-10(9)16-8(12)4-5-13-16/h4-5H,1-3,6,12H2
InChIKeyPSGYVUNATJTEFC-UHFFFAOYSA-N
MW282.14 g/mol
LogP1.75
Rot. Bonds1

About 2-(3-bromo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)pyrazol-3-amine

2-(3-bromo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)pyrazol-3-amine (PubChem CID 54205634) has the molecular formula C10H12BrN5 and a molecular weight of 282.14 g/mol. Its IUPAC name is 2-(3-bromo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)pyrazol-3-amine.

Molecular Properties

Compound Name2-(3-bromo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)pyrazol-3-amine
PubChem CID54205634
Molecular FormulaC10H12BrN5
Molecular Weight282.14 g/mol
Exact Mass281.03
IUPAC Name2-(3-bromo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)pyrazol-3-amine
SMILESNc1ccnn1-c1nn2c(c1Br)CCCC2
InChIInChI=1S/C10H12BrN5/c11-9-7-3-1-2-6-15(7)14-10(9)16-8(12)4-5-13-16/h4-5H,1-3,6,12H2
InChIKeyPSGYVUNATJTEFC-UHFFFAOYSA-N
XLogP1.75
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.14
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)pyrazol-3-amine?
The IUPAC name of 2-(3-bromo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)pyrazol-3-amine (CID 54205634) is 2-(3-bromo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)pyrazol-3-amine.
What is the SMILES notation for 2-(3-bromo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)pyrazol-3-amine?
The canonical SMILES for 2-(3-bromo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)pyrazol-3-amine is Nc1ccnn1-c1nn2c(c1Br)CCCC2.
What is the InChIKey of 2-(3-bromo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)pyrazol-3-amine?
The InChIKey is PSGYVUNATJTEFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN5/c11-9-7-3-1-2-6-15(7)14-10(9)16-8(12)4-5-13-16/h4-5H,1-3,6,12H2.
What are the key properties of 2-(3-bromo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)pyrazol-3-amine?
2-(3-bromo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)pyrazol-3-amine has a molecular weight of 282.14 g/mol, XLogP of 1.75, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)pyrazol-3-amine is sourced from PubChem (CID 54205634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).