4-(1-chloropropan-2-ylsulfonyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazine

C10H9ClF3N3O2S — CID 104732302

IUPAC4-(1-chloropropan-2-ylsulfonyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazine
SMILESCC(CCl)S(=O)(=O)c1nccn2nc(C(F)(F)F)cc12
InChIInChI=1S/C10H9ClF3N3O2S/c1-6(5-11)20(18,19)9-7-4-8(10(12,13)14)16-17(7)3-2-15-9/h2-4,6H,5H2,1H3
InChIKeyPANULQAGNSZCPW-UHFFFAOYSA-N
MW327.72 g/mol
LogP2.15
Rot. Bonds3

About 4-(1-chloropropan-2-ylsulfonyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazine

4-(1-chloropropan-2-ylsulfonyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazine (PubChem CID 104732302) has the molecular formula C10H9ClF3N3O2S and a molecular weight of 327.72 g/mol. Its IUPAC name is 4-(1-chloropropan-2-ylsulfonyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name4-(1-chloropropan-2-ylsulfonyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazine
PubChem CID104732302
Molecular FormulaC10H9ClF3N3O2S
Molecular Weight327.72 g/mol
Exact Mass327.01
IUPAC Name4-(1-chloropropan-2-ylsulfonyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazine
SMILESCC(CCl)S(=O)(=O)c1nccn2nc(C(F)(F)F)cc12
InChIInChI=1S/C10H9ClF3N3O2S/c1-6(5-11)20(18,19)9-7-4-8(10(12,13)14)16-17(7)3-2-15-9/h2-4,6H,5H2,1H3
InChIKeyPANULQAGNSZCPW-UHFFFAOYSA-N
XLogP2.15
TPSA64.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.72
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(4-chlorobutan-2-ylsulfonyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazine
CID 104732292
4-(1-chloropropan-2-ylsulfonyl)pyrazolo[1,5-a]pyrazine
CID 104732304
4-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]pentane-2,4-diamine
CID 104734344
N-(4-methylpentan-2-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104730626
N-(4-chloro-2-methylbutyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104734018
4-(3-chloro-2-methylpropyl)sulfonyl-2-methylpyrazolo[1,5-a]pyrazine
CID 104732287
3-amino-2-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]propan-1-ol
CID 104733799
N,N-dimethyl-2-[[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]propanamide
CID 104731044
2-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylpropan-1-ol
CID 113446440
N-(2-methylbutyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104731373
N-(2-chloroethyl)-N-ethyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 113446611
2-N,2-N-dimethyl-1-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]propane-1,2-diamine
CID 104730897

Frequently Asked Questions

What is the IUPAC name of 4-(1-chloropropan-2-ylsulfonyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazine?
The IUPAC name of 4-(1-chloropropan-2-ylsulfonyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazine (CID 104732302) is 4-(1-chloropropan-2-ylsulfonyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 4-(1-chloropropan-2-ylsulfonyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazine?
The canonical SMILES for 4-(1-chloropropan-2-ylsulfonyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazine is CC(CCl)S(=O)(=O)c1nccn2nc(C(F)(F)F)cc12.
What is the InChIKey of 4-(1-chloropropan-2-ylsulfonyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazine?
The InChIKey is PANULQAGNSZCPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF3N3O2S/c1-6(5-11)20(18,19)9-7-4-8(10(12,13)14)16-17(7)3-2-15-9/h2-4,6H,5H2,1H3.
What are the key properties of 4-(1-chloropropan-2-ylsulfonyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazine?
4-(1-chloropropan-2-ylsulfonyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazine has a molecular weight of 327.72 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-chloropropan-2-ylsulfonyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 104732302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).