3-bromo-7-cyclopropyl-2-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

C14H15BrN4 — CID 136841736

IUPAC3-bromo-7-cyclopropyl-2-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESBrc1c(-c2ccncc2)nn2c1NCCC2C1CC1
InChIInChI=1S/C14H15BrN4/c15-12-13(10-3-6-16-7-4-10)18-19-11(9-1-2-9)5-8-17-14(12)19/h3-4,6-7,9,11,17H,1-2,5,8H2
InChIKeyBKHXZDXUSBYQOD-UHFFFAOYSA-N
MW319.21 g/mol
LogP3.47
Rot. Bonds2

About 3-bromo-7-cyclopropyl-2-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

3-bromo-7-cyclopropyl-2-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (PubChem CID 136841736) has the molecular formula C14H15BrN4 and a molecular weight of 319.21 g/mol. Its IUPAC name is 3-bromo-7-cyclopropyl-2-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-bromo-7-cyclopropyl-2-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
PubChem CID136841736
Molecular FormulaC14H15BrN4
Molecular Weight319.21 g/mol
Exact Mass318.05
IUPAC Name3-bromo-7-cyclopropyl-2-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESBrc1c(-c2ccncc2)nn2c1NCCC2C1CC1
InChIInChI=1S/C14H15BrN4/c15-12-13(10-3-6-16-7-4-10)18-19-11(9-1-2-9)5-8-17-14(12)19/h3-4,6-7,9,11,17H,1-2,5,8H2
InChIKeyBKHXZDXUSBYQOD-UHFFFAOYSA-N
XLogP3.47
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.21
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-7-cyclopropyl-2-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-bromo-7-cyclopropyl-2-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (CID 136841736) is 3-bromo-7-cyclopropyl-2-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-bromo-7-cyclopropyl-2-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-bromo-7-cyclopropyl-2-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is Brc1c(-c2ccncc2)nn2c1NCCC2C1CC1.
What is the InChIKey of 3-bromo-7-cyclopropyl-2-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The InChIKey is BKHXZDXUSBYQOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN4/c15-12-13(10-3-6-16-7-4-10)18-19-11(9-1-2-9)5-8-17-14(12)19/h3-4,6-7,9,11,17H,1-2,5,8H2.
What are the key properties of 3-bromo-7-cyclopropyl-2-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
3-bromo-7-cyclopropyl-2-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine has a molecular weight of 319.21 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-7-cyclopropyl-2-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 136841736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).