7-chloro-5-ethyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine

C12H10ClN3S — CID 82269997

IUPAC7-chloro-5-ethyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine
SMILESCCc1cc(Cl)n2nc(-c3cccs3)cc2n1
InChIInChI=1S/C12H10ClN3S/c1-2-8-6-11(13)16-12(14-8)7-9(15-16)10-4-3-5-17-10/h3-7H,2H2,1H3
InChIKeyJXOUTCCSHSUCMO-UHFFFAOYSA-N
MW263.75 g/mol
LogP3.67
Rot. Bonds2

About 7-chloro-5-ethyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine

7-chloro-5-ethyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine (PubChem CID 82269997) has the molecular formula C12H10ClN3S and a molecular weight of 263.75 g/mol. Its IUPAC name is 7-chloro-5-ethyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-chloro-5-ethyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine
PubChem CID82269997
Molecular FormulaC12H10ClN3S
Molecular Weight263.75 g/mol
Exact Mass263.03
IUPAC Name7-chloro-5-ethyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine
SMILESCCc1cc(Cl)n2nc(-c3cccs3)cc2n1
InChIInChI=1S/C12H10ClN3S/c1-2-8-6-11(13)16-12(14-8)7-9(15-16)10-4-3-5-17-10/h3-7H,2H2,1H3
InChIKeyJXOUTCCSHSUCMO-UHFFFAOYSA-N
XLogP3.67
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.75
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-chloro-5-cyclopropyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine
CID 114514718
N'-(5-ethyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)propane-1,3-diamine
CID 82270798
7-chloro-5-cyclopentyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine
CID 114514726
(5,6-dimethyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)hydrazine
CID 82270412
7-chloro-2-(3-chlorophenyl)-5-propylpyrazolo[1,5-a]pyrimidine
CID 82269954
1-(chloromethyl)-5-propan-2-yl-3-thiophen-2-ylpyrazole
CID 121211921
(2-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)methanamine
CID 103316839
(7-ethyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)-morpholin-4-ylmethanone
CID 53040628
2-ethylsulfanyl-4-(furan-2-yl)-7-thiophen-2-ylpyrazolo[1,5-a][1,3,5]triazine
CID 102460581
3-[(5-methyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-1-ol
CID 3229955
diethyl-[3-[(6-ethyl-5-methyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propyl]azanium
CID 7441022
5,7-dichloro-2-ethylpyrazolo[1,5-a]pyrimidine
CID 112694464

Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-ethyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-chloro-5-ethyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine (CID 82269997) is 7-chloro-5-ethyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-chloro-5-ethyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-chloro-5-ethyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine is CCc1cc(Cl)n2nc(-c3cccs3)cc2n1.
What is the InChIKey of 7-chloro-5-ethyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine?
The InChIKey is JXOUTCCSHSUCMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3S/c1-2-8-6-11(13)16-12(14-8)7-9(15-16)10-4-3-5-17-10/h3-7H,2H2,1H3.
What are the key properties of 7-chloro-5-ethyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine?
7-chloro-5-ethyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine has a molecular weight of 263.75 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-ethyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 82269997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).