3-bromo-N-methyl-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine

C12H11BrN4S — CID 59860330

IUPAC3-bromo-N-methyl-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCN(Cc1cccs1)c1ccnc2c(Br)cnn12
InChIInChI=1S/C12H11BrN4S/c1-16(8-9-3-2-6-18-9)11-4-5-14-12-10(13)7-15-17(11)12/h2-7H,8H2,1H3
InChIKeyZUYARTXMXAYRDJ-UHFFFAOYSA-N
MW323.22 g/mol
LogP3.19
Rot. Bonds3

About 3-bromo-N-methyl-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine

3-bromo-N-methyl-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 59860330) has the molecular formula C12H11BrN4S and a molecular weight of 323.22 g/mol. Its IUPAC name is 3-bromo-N-methyl-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name3-bromo-N-methyl-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID59860330
Molecular FormulaC12H11BrN4S
Molecular Weight323.22 g/mol
Exact Mass321.99
IUPAC Name3-bromo-N-methyl-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCN(Cc1cccs1)c1ccnc2c(Br)cnn12
InChIInChI=1S/C12H11BrN4S/c1-16(8-9-3-2-6-18-9)11-4-5-14-12-10(13)7-15-17(11)12/h2-7H,8H2,1H3
InChIKeyZUYARTXMXAYRDJ-UHFFFAOYSA-N
XLogP3.19
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.22
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-methyl-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 3-bromo-N-methyl-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 59860330) is 3-bromo-N-methyl-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 3-bromo-N-methyl-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 3-bromo-N-methyl-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine is CN(Cc1cccs1)c1ccnc2c(Br)cnn12.
What is the InChIKey of 3-bromo-N-methyl-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is ZUYARTXMXAYRDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN4S/c1-16(8-9-3-2-6-18-9)11-4-5-14-12-10(13)7-15-17(11)12/h2-7H,8H2,1H3.
What are the key properties of 3-bromo-N-methyl-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
3-bromo-N-methyl-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 323.22 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-methyl-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 59860330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).