4-chloro-2-thiophen-3-ylpyrazolo[1,5-a]pyrazine

C10H6ClN3S — CID 91811759

IUPAC4-chloro-2-thiophen-3-ylpyrazolo[1,5-a]pyrazine
SMILESClc1nccn2nc(-c3ccsc3)cc12
InChIInChI=1S/C10H6ClN3S/c11-10-9-5-8(7-1-4-15-6-7)13-14(9)3-2-12-10/h1-6H
InChIKeySPIUWOPQYPTARC-UHFFFAOYSA-N
MW235.70 g/mol
LogP3.11
Rot. Bonds1

About 4-chloro-2-thiophen-3-ylpyrazolo[1,5-a]pyrazine

4-chloro-2-thiophen-3-ylpyrazolo[1,5-a]pyrazine (PubChem CID 91811759) has the molecular formula C10H6ClN3S and a molecular weight of 235.70 g/mol. Its IUPAC name is 4-chloro-2-thiophen-3-ylpyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name4-chloro-2-thiophen-3-ylpyrazolo[1,5-a]pyrazine
PubChem CID91811759
Molecular FormulaC10H6ClN3S
Molecular Weight235.70 g/mol
Exact Mass235.00
IUPAC Name4-chloro-2-thiophen-3-ylpyrazolo[1,5-a]pyrazine
SMILESClc1nccn2nc(-c3ccsc3)cc12
InChIInChI=1S/C10H6ClN3S/c11-10-9-5-8(7-1-4-15-6-7)13-14(9)3-2-12-10/h1-6H
InChIKeySPIUWOPQYPTARC-UHFFFAOYSA-N
XLogP3.11
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.70
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

US10377753, Example 130
CID 124175977
1-(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)-N-(pyridin-3-ylmethyl)-N-(3-thienylmethyl)methanamine
CID 46989849
2-Phenyl-6-thiophen-3-ylpyrazolo[4,3-c]pyridine
CID 145985931
4-Methyl-2-phenyl-6-thiophen-3-ylpyrazolo[4,3-c]pyridine
CID 145986186
1-[(6-Fluoropyridin-3-yl)methyl]-6-[5-(trifluoromethyl)thiophen-2-yl]pyrazolo[4,3-b]pyridine
CID 155399972
US10377753, Example 420
CID 124176273
US10034861, Example 65
CID 132273363
4-Chloro-2-phenylpyrazolo(1,5-a)pyrazine
CID 46507305
5-Chloro-4-(4-chlorophenyl)-12-thia-3,4,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,5,7,10-pentaene
CID 14809216
4-[(2-Chloro-4-fluorobenzyl)thio]-2-phenylpyrazolo[1,5-a]pyrazine
CID 27372820
4-[(2-Chloro-4-fluorobenzyl)thio]-2-(2-thienyl)pyrazolo[1,5-a]pyrazine
CID 27373095
4-[(3-Chlorobenzyl)thio]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazine
CID 30849872

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-thiophen-3-ylpyrazolo[1,5-a]pyrazine?
The IUPAC name of 4-chloro-2-thiophen-3-ylpyrazolo[1,5-a]pyrazine (CID 91811759) is 4-chloro-2-thiophen-3-ylpyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 4-chloro-2-thiophen-3-ylpyrazolo[1,5-a]pyrazine?
The canonical SMILES for 4-chloro-2-thiophen-3-ylpyrazolo[1,5-a]pyrazine is Clc1nccn2nc(-c3ccsc3)cc12.
What is the InChIKey of 4-chloro-2-thiophen-3-ylpyrazolo[1,5-a]pyrazine?
The InChIKey is SPIUWOPQYPTARC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClN3S/c11-10-9-5-8(7-1-4-15-6-7)13-14(9)3-2-12-10/h1-6H.
What are the key properties of 4-chloro-2-thiophen-3-ylpyrazolo[1,5-a]pyrazine?
4-chloro-2-thiophen-3-ylpyrazolo[1,5-a]pyrazine has a molecular weight of 235.70 g/mol, XLogP of 3.11, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-thiophen-3-ylpyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 91811759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).