7-chloro-3-ethyl-5-thiophen-3-ylpyrazolo[1,5-a]pyrimidine

C12H10ClN3S — CID 22309024

IUPAC7-chloro-3-ethyl-5-thiophen-3-ylpyrazolo[1,5-a]pyrimidine
SMILESCCc1cnn2c(Cl)cc(-c3ccsc3)nc12
InChIInChI=1S/C12H10ClN3S/c1-2-8-6-14-16-11(13)5-10(15-12(8)16)9-3-4-17-7-9/h3-7H,2H2,1H3
InChIKeyMQYVABMWTLMMEI-UHFFFAOYSA-N
MW263.75 g/mol
LogP3.67
Rot. Bonds2

About 7-chloro-3-ethyl-5-thiophen-3-ylpyrazolo[1,5-a]pyrimidine

7-chloro-3-ethyl-5-thiophen-3-ylpyrazolo[1,5-a]pyrimidine (PubChem CID 22309024) has the molecular formula C12H10ClN3S and a molecular weight of 263.75 g/mol. Its IUPAC name is 7-chloro-3-ethyl-5-thiophen-3-ylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-chloro-3-ethyl-5-thiophen-3-ylpyrazolo[1,5-a]pyrimidine
PubChem CID22309024
Molecular FormulaC12H10ClN3S
Molecular Weight263.75 g/mol
Exact Mass263.03
IUPAC Name7-chloro-3-ethyl-5-thiophen-3-ylpyrazolo[1,5-a]pyrimidine
SMILESCCc1cnn2c(Cl)cc(-c3ccsc3)nc12
InChIInChI=1S/C12H10ClN3S/c1-2-8-6-14-16-11(13)5-10(15-12(8)16)9-3-4-17-7-9/h3-7H,2H2,1H3
InChIKeyMQYVABMWTLMMEI-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

5-tert-butyl-7-chloro-3-ethylpyrazolo[1,5-a]pyrimidine
CID 22309031
3-ethyl-5-pyridin-4-ylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
CID 104617872
7-chloro-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde;(7-chloro-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)methanol
CID 159834441
7-chloro-3-ethyl-5,6-dimethylpyrazolo[1,5-a]pyrimidine
CID 82274393
3-butan-2-yl-7-chloro-5-phenylpyrazolo[1,5-a]pyrimidine
CID 142869856
7-chloro-5-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl chloride
CID 87767602
2-(5-ethyl-3-thiophen-3-ylpyrazol-1-yl)acetic acid
CID 121211968
7-chloro-3,6-diethyl-5-methylpyrazolo[1,5-a]pyrimidine
CID 104621763
2-(5-ethyl-3-thiophen-3-ylpyrazol-1-yl)ethanamine
CID 121211971
1-(1-ethyl-3-thiophen-3-ylpyrazol-5-yl)-N-methylmethanamine
CID 121211272
3-benzyl-7-chloro-5-methylpyrazolo[1,5-a]pyrimidine
CID 82274288
3-ethyl-7-methylpyrazolo[1,5-a]pyrimidin-5-amine
CID 145164018

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-ethyl-5-thiophen-3-ylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-chloro-3-ethyl-5-thiophen-3-ylpyrazolo[1,5-a]pyrimidine (CID 22309024) is 7-chloro-3-ethyl-5-thiophen-3-ylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-chloro-3-ethyl-5-thiophen-3-ylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-chloro-3-ethyl-5-thiophen-3-ylpyrazolo[1,5-a]pyrimidine is CCc1cnn2c(Cl)cc(-c3ccsc3)nc12.
What is the InChIKey of 7-chloro-3-ethyl-5-thiophen-3-ylpyrazolo[1,5-a]pyrimidine?
The InChIKey is MQYVABMWTLMMEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3S/c1-2-8-6-14-16-11(13)5-10(15-12(8)16)9-3-4-17-7-9/h3-7H,2H2,1H3.
What are the key properties of 7-chloro-3-ethyl-5-thiophen-3-ylpyrazolo[1,5-a]pyrimidine?
7-chloro-3-ethyl-5-thiophen-3-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-3-ethyl-5-thiophen-3-ylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 22309024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).