6-bromo-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C12H9BrN4OS — CID 2982091

IUPAC6-bromo-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NCc1cccs1)c1cnn2cc(Br)cnc12
InChIInChI=1S/C12H9BrN4OS/c13-8-4-14-11-10(6-16-17(11)7-8)12(18)15-5-9-2-1-3-19-9/h1-4,6-7H,5H2,(H,15,18)
InChIKeyQZUUNRSWPDXSIG-UHFFFAOYSA-N
MW337.20 g/mol
LogP2.48
Rot. Bonds3

About 6-bromo-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

6-bromo-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 2982091) has the molecular formula C12H9BrN4OS and a molecular weight of 337.20 g/mol. Its IUPAC name is 6-bromo-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID2982091
Molecular FormulaC12H9BrN4OS
Molecular Weight337.20 g/mol
Exact Mass335.97
IUPAC Name6-bromo-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NCc1cccs1)c1cnn2cc(Br)cnc12
InChIInChI=1S/C12H9BrN4OS/c13-8-4-14-11-10(6-16-17(11)7-8)12(18)15-5-9-2-1-3-19-9/h1-4,6-7H,5H2,(H,15,18)
InChIKeyQZUUNRSWPDXSIG-UHFFFAOYSA-N
XLogP2.48
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.20
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-thienylmethyl)[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 821815
3-Methyl-1-[5-(2-methyl-2H-tetrazol-5-yl)-2-thiophen-2-yl-pyrimidin-4-ylamino]-pyrrole-2,5-dione
CID 44289772
N-(3-cyano-4-ethyl-5-methyl-2-thiophenyl)-3-pyrazolo[1,5-a]pyrimidinecarboxamide
CID 1247986
N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1253427
6-benzyl-5,7-dimethyl-N-(thien-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 4108275
US10155765, Example 50
CID 122515249
N-(3-pyridinylmethyl)-5-(2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1111034
5-(thiophen-2-yl)-N-(thiophen-2-ylmethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1111040
N-prop-2-enyl-5-thien-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1728130
N-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)thiophene-2-carboxamide
CID 137655802
6-[(diethylamino)methyl]-N-(3-thienylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 56749563
1-pyrazolo[1,5-a]pyrimidin-7-yl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 134799375

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 6-bromo-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 2982091) is 6-bromo-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 6-bromo-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 6-bromo-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(NCc1cccs1)c1cnn2cc(Br)cnc12.
What is the InChIKey of 6-bromo-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is QZUUNRSWPDXSIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrN4OS/c13-8-4-14-11-10(6-16-17(11)7-8)12(18)15-5-9-2-1-3-19-9/h1-4,6-7H,5H2,(H,15,18).
What are the key properties of 6-bromo-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
6-bromo-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 337.20 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 2982091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).