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

C12H10N4OS — CID 1253427

IUPACN-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NCc1cccs1)c1cnn2cccnc12
InChIInChI=1S/C12H10N4OS/c17-12(14-7-9-3-1-6-18-9)10-8-15-16-5-2-4-13-11(10)16/h1-6,8H,7H2,(H,14,17)
InChIKeyRNWKAOCINOGBNC-UHFFFAOYSA-N
MW258.31 g/mol
LogP1.72
Rot. Bonds3

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

N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 1253427) has the molecular formula C12H10N4OS and a molecular weight of 258.31 g/mol. Its IUPAC name is N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID1253427
Molecular FormulaC12H10N4OS
Molecular Weight258.31 g/mol
Exact Mass258.06
IUPAC NameN-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NCc1cccs1)c1cnn2cccnc12
InChIInChI=1S/C12H10N4OS/c17-12(14-7-9-3-1-6-18-9)10-8-15-16-5-2-4-13-11(10)16/h1-6,8H,7H2,(H,14,17)
InChIKeyRNWKAOCINOGBNC-UHFFFAOYSA-N
XLogP1.72
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.31
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-Pyridin-3-yl-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]propan-1-one
CID 3978169
2-[[2-([1,2,4]Triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]amino]thiophene-3-carboxamide
CID 2622550
(4-Methylpiperazin-1-yl)(5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 1070421
(8-Amino-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-pyrrolidin-1-yl-methanone
CID 20620157
N-(6-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)acetamide
CID 25129734
4-(6-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
CID 25205097
N-ethyl-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide
CID 68777548
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 2229662
N-(2-thienylmethyl)[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 821815
3-chloro-N-(2-thienylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1256185
N-(thiophen-2-ylmethyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
CID 2374635
3-Methyl-1-[5-(2-methyl-2H-tetrazol-5-yl)-2-thiophen-2-yl-pyrimidin-4-ylamino]-pyrrole-2,5-dione
CID 44289772

Frequently Asked Questions

What is the IUPAC name of N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 1253427) is N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(NCc1cccs1)c1cnn2cccnc12.
What is the InChIKey of N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is RNWKAOCINOGBNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4OS/c17-12(14-7-9-3-1-6-18-9)10-8-15-16-5-2-4-13-11(10)16/h1-6,8H,7H2,(H,14,17).
What are the key properties of N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 258.31 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 1253427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).