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

C14H20BrN7 — CID 143439981

IUPAC5-(3-aminopropyl)-6-bromo-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;ethane
SMILESCC.NCCCc1nc2c(-c3cn[nH]c3)cnn2c(N)c1Br
InChIInChI=1S/C12H14BrN7.C2H6/c13-10-9(2-1-3-14)19-12-8(7-4-16-17-5-7)6-18-20(12)11(10)15;1-2/h4-6H,1-3,14-15H2,(H,16,17);1-2H3
InChIKeyOVIZOKGEFJMDGX-UHFFFAOYSA-N
MW366.27 g/mol
LogP2.38
Rot. Bonds4

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

5-(3-aminopropyl)-6-bromo-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;ethane (PubChem CID 143439981) has the molecular formula C14H20BrN7 and a molecular weight of 366.27 g/mol. Its IUPAC name is 5-(3-aminopropyl)-6-bromo-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;ethane.

Molecular Properties

Compound Name5-(3-aminopropyl)-6-bromo-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;ethane
PubChem CID143439981
Molecular FormulaC14H20BrN7
Molecular Weight366.27 g/mol
Exact Mass365.10
IUPAC Name5-(3-aminopropyl)-6-bromo-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;ethane
SMILESCC.NCCCc1nc2c(-c3cn[nH]c3)cnn2c(N)c1Br
InChIInChI=1S/C12H14BrN7.C2H6/c13-10-9(2-1-3-14)19-12-8(7-4-16-17-5-7)6-18-20(12)11(10)15;1-2/h4-6H,1-3,14-15H2,(H,16,17);1-2H3
InChIKeyOVIZOKGEFJMDGX-UHFFFAOYSA-N
XLogP2.38
TPSA110.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.27
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 16226179
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CID 16226383
CID 16226383
CID 53324706
CID 53324706
CID 53324707
CID 53324707
CID 53326006
CID 53326006
CID 53326007
CID 53326007
CID 60154332
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CID 53320317
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CID 53326873

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminopropyl)-6-bromo-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;ethane?
The IUPAC name of 5-(3-aminopropyl)-6-bromo-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;ethane (CID 143439981) is 5-(3-aminopropyl)-6-bromo-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;ethane.
What is the SMILES notation for 5-(3-aminopropyl)-6-bromo-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;ethane?
The canonical SMILES for 5-(3-aminopropyl)-6-bromo-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;ethane is CC.NCCCc1nc2c(-c3cn[nH]c3)cnn2c(N)c1Br.
What is the InChIKey of 5-(3-aminopropyl)-6-bromo-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;ethane?
The InChIKey is OVIZOKGEFJMDGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN7.C2H6/c13-10-9(2-1-3-14)19-12-8(7-4-16-17-5-7)6-18-20(12)11(10)15;1-2/h4-6H,1-3,14-15H2,(H,16,17);1-2H3.
What are the key properties of 5-(3-aminopropyl)-6-bromo-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;ethane?
5-(3-aminopropyl)-6-bromo-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;ethane has a molecular weight of 366.27 g/mol, XLogP of 2.38, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminopropyl)-6-bromo-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;ethane is sourced from PubChem (CID 143439981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).