5-(3-aminocyclohexyl)-6-bromo-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine

C15H18BrN7 — CID 78010982

IUPAC5-(3-aminocyclohexyl)-6-bromo-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESNc1c(Br)c(C2CCCC(N)C2)nc2c(-c3cn[nH]c3)cnn12
InChIInChI=1S/C15H18BrN7/c16-12-13(8-2-1-3-10(17)4-8)22-15-11(9-5-19-20-6-9)7-21-23(15)14(12)18/h5-8,10H,1-4,17-18H2,(H,19,20)
InChIKeyWYDGOPBGPTWPLO-UHFFFAOYSA-N
MW376.26 g/mol
LogP2.45
Rot. Bonds2

About 5-(3-aminocyclohexyl)-6-bromo-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine

5-(3-aminocyclohexyl)-6-bromo-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 78010982) has the molecular formula C15H18BrN7 and a molecular weight of 376.26 g/mol. Its IUPAC name is 5-(3-aminocyclohexyl)-6-bromo-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-(3-aminocyclohexyl)-6-bromo-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID78010982
Molecular FormulaC15H18BrN7
Molecular Weight376.26 g/mol
Exact Mass375.08
IUPAC Name5-(3-aminocyclohexyl)-6-bromo-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESNc1c(Br)c(C2CCCC(N)C2)nc2c(-c3cn[nH]c3)cnn12
InChIInChI=1S/C15H18BrN7/c16-12-13(8-2-1-3-10(17)4-8)22-15-11(9-5-19-20-6-9)7-21-23(15)14(12)18/h5-8,10H,1-4,17-18H2,(H,19,20)
InChIKeyWYDGOPBGPTWPLO-UHFFFAOYSA-N
XLogP2.45
TPSA110.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.26
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(3-aminocyclohexyl)-6-bromo-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-(3-aminocyclohexyl)-6-bromo-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 78010982) is 5-(3-aminocyclohexyl)-6-bromo-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-(3-aminocyclohexyl)-6-bromo-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-(3-aminocyclohexyl)-6-bromo-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine is Nc1c(Br)c(C2CCCC(N)C2)nc2c(-c3cn[nH]c3)cnn12.
What is the InChIKey of 5-(3-aminocyclohexyl)-6-bromo-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is WYDGOPBGPTWPLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN7/c16-12-13(8-2-1-3-10(17)4-8)22-15-11(9-5-19-20-6-9)7-21-23(15)14(12)18/h5-8,10H,1-4,17-18H2,(H,19,20).
What are the key properties of 5-(3-aminocyclohexyl)-6-bromo-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
5-(3-aminocyclohexyl)-6-bromo-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 376.26 g/mol, XLogP of 2.45, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminocyclohexyl)-6-bromo-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 78010982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).