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

C12H9ClN4OS — CID 1256185

IUPAC3-chloro-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(NCc1cccs1)c1nn2cccnc2c1Cl
InChIInChI=1S/C12H9ClN4OS/c13-9-10(16-17-5-2-4-14-11(9)17)12(18)15-7-8-3-1-6-19-8/h1-6H,7H2,(H,15,18)
InChIKeyLQVLVZZVGYRJDV-UHFFFAOYSA-N
MW292.75 g/mol
LogP2.37
Rot. Bonds3

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

3-chloro-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 1256185) has the molecular formula C12H9ClN4OS and a molecular weight of 292.75 g/mol. Its IUPAC name is 3-chloro-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID1256185
Molecular FormulaC12H9ClN4OS
Molecular Weight292.75 g/mol
Exact Mass292.02
IUPAC Name3-chloro-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(NCc1cccs1)c1nn2cccnc2c1Cl
InChIInChI=1S/C12H9ClN4OS/c13-9-10(16-17-5-2-4-14-11(9)17)12(18)15-7-8-3-1-6-19-8/h1-6H,7H2,(H,15,18)
InChIKeyLQVLVZZVGYRJDV-UHFFFAOYSA-N
XLogP2.37
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.75
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-N-(3-pyridinylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 2242438
N-(pyridin-3-yl)-5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 17020757
(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 59663067
N-(2-thienylmethyl)[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 821815
N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]thiophene-2-carboxamide
CID 7708113
7-[chloro(difluoro)methyl]-N-(3-pyridinylmethyl)-5-(2-thienyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1045803
[3-Chloro-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone
CID 1000291
N-propyl-5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 2057536
Mycro2
CID 3738357
US10100058, Example 103
CID 134539939
(S)-N-(1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-(methylthio)propyl)thiophene-2-carboxamide
CID 7711096
N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1253427

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 3-chloro-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 1256185) is 3-chloro-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 3-chloro-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 3-chloro-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is O=C(NCc1cccs1)c1nn2cccnc2c1Cl.
What is the InChIKey of 3-chloro-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is LQVLVZZVGYRJDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN4OS/c13-9-10(16-17-5-2-4-14-11(9)17)12(18)15-7-8-3-1-6-19-8/h1-6H,7H2,(H,15,18).
What are the key properties of 3-chloro-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
3-chloro-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 292.75 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 1256185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).