4-(3-chloro-2-methylpropyl)sulfanylpyrazolo[1,5-a]pyrazine

C10H12ClN3S — CID 104732271

IUPAC4-(3-chloro-2-methylpropyl)sulfanylpyrazolo[1,5-a]pyrazine
SMILESCC(CCl)CSc1nccn2nccc12
InChIInChI=1S/C10H12ClN3S/c1-8(6-11)7-15-10-9-2-3-13-14(9)5-4-12-10/h2-5,8H,6-7H2,1H3
InChIKeyZXLYXDAABHCFBG-UHFFFAOYSA-N
MW241.75 g/mol
LogP2.70
Rot. Bonds4

About 4-(3-chloro-2-methylpropyl)sulfanylpyrazolo[1,5-a]pyrazine

4-(3-chloro-2-methylpropyl)sulfanylpyrazolo[1,5-a]pyrazine (PubChem CID 104732271) has the molecular formula C10H12ClN3S and a molecular weight of 241.75 g/mol. Its IUPAC name is 4-(3-chloro-2-methylpropyl)sulfanylpyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name4-(3-chloro-2-methylpropyl)sulfanylpyrazolo[1,5-a]pyrazine
PubChem CID104732271
Molecular FormulaC10H12ClN3S
Molecular Weight241.75 g/mol
Exact Mass241.04
IUPAC Name4-(3-chloro-2-methylpropyl)sulfanylpyrazolo[1,5-a]pyrazine
SMILESCC(CCl)CSc1nccn2nccc12
InChIInChI=1S/C10H12ClN3S/c1-8(6-11)7-15-10-9-2-3-13-14(9)5-4-12-10/h2-5,8H,6-7H2,1H3
InChIKeyZXLYXDAABHCFBG-UHFFFAOYSA-N
XLogP2.70
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.75
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-(2-Chloroethylsulfanyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazine
CID 104732265
4-(3-Chloro-2-methylpropyl)sulfanyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazine
CID 104732270
4-(1-Chloropropan-2-ylsulfanyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazine
CID 104732280
4-(4-Chlorobutan-2-ylsulfanyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazine
CID 113446442
4-(3-Chloropropylsulfanyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazine
CID 113446444
6-Tert-butyl-[1,3]thiazolo[5,4-c]pyridazine
CID 90328695
6-Propan-2-yl-[1,3]thiazolo[5,4-c]pyridazine
CID 130232739
Ethane;6-methyl-[1,3]thiazolo[5,4-c]pyridazine
CID 144655426
6-Methylsulfanylpyrazolo[1,5-a]pyrazine
CID 170375120
3-Pyrazolo[1,5-a]pyrazin-4-ylsulfanylpropanoic acid
CID 104730073
2-Pyrazolo[1,5-a]pyrazin-4-ylsulfanylpropanoic acid
CID 104730078
2-Pyrazolo[1,5-a]pyrazin-4-ylsulfanylacetic acid
CID 104730082

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-2-methylpropyl)sulfanylpyrazolo[1,5-a]pyrazine?
The IUPAC name of 4-(3-chloro-2-methylpropyl)sulfanylpyrazolo[1,5-a]pyrazine (CID 104732271) is 4-(3-chloro-2-methylpropyl)sulfanylpyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 4-(3-chloro-2-methylpropyl)sulfanylpyrazolo[1,5-a]pyrazine?
The canonical SMILES for 4-(3-chloro-2-methylpropyl)sulfanylpyrazolo[1,5-a]pyrazine is CC(CCl)CSc1nccn2nccc12.
What is the InChIKey of 4-(3-chloro-2-methylpropyl)sulfanylpyrazolo[1,5-a]pyrazine?
The InChIKey is ZXLYXDAABHCFBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3S/c1-8(6-11)7-15-10-9-2-3-13-14(9)5-4-12-10/h2-5,8H,6-7H2,1H3.
What are the key properties of 4-(3-chloro-2-methylpropyl)sulfanylpyrazolo[1,5-a]pyrazine?
4-(3-chloro-2-methylpropyl)sulfanylpyrazolo[1,5-a]pyrazine has a molecular weight of 241.75 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-2-methylpropyl)sulfanylpyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 104732271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).