2-cyclopropyl-5-(4-fluoro-2-methylphenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine

C16H18FN3O2S — CID 119103088

IUPAC2-cyclopropyl-5-(4-fluoro-2-methylphenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
SMILESCc1cc(F)ccc1S(=O)(=O)N1CCn2nc(C3CC3)cc2C1
InChIInChI=1S/C16H18FN3O2S/c1-11-8-13(17)4-5-16(11)23(21,22)19-6-7-20-14(10-19)9-15(18-20)12-2-3-12/h4-5,8-9,12H,2-3,6-7,10H2,1H3
InChIKeyVWIICBBTOZTICY-UHFFFAOYSA-N
MW335.40 g/mol
LogP2.41
Rot. Bonds3

About 2-cyclopropyl-5-(4-fluoro-2-methylphenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine

2-cyclopropyl-5-(4-fluoro-2-methylphenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine (PubChem CID 119103088) has the molecular formula C16H18FN3O2S and a molecular weight of 335.40 g/mol. Its IUPAC name is 2-cyclopropyl-5-(4-fluoro-2-methylphenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name2-cyclopropyl-5-(4-fluoro-2-methylphenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
PubChem CID119103088
Molecular FormulaC16H18FN3O2S
Molecular Weight335.40 g/mol
Exact Mass335.11
IUPAC Name2-cyclopropyl-5-(4-fluoro-2-methylphenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
SMILESCc1cc(F)ccc1S(=O)(=O)N1CCn2nc(C3CC3)cc2C1
InChIInChI=1S/C16H18FN3O2S/c1-11-8-13(17)4-5-16(11)23(21,22)19-6-7-20-14(10-19)9-15(18-20)12-2-3-12/h4-5,8-9,12H,2-3,6-7,10H2,1H3
InChIKeyVWIICBBTOZTICY-UHFFFAOYSA-N
XLogP2.41
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-(4-fluoro-2-methylphenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine?
The IUPAC name of 2-cyclopropyl-5-(4-fluoro-2-methylphenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine (CID 119103088) is 2-cyclopropyl-5-(4-fluoro-2-methylphenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 2-cyclopropyl-5-(4-fluoro-2-methylphenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine?
The canonical SMILES for 2-cyclopropyl-5-(4-fluoro-2-methylphenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine is Cc1cc(F)ccc1S(=O)(=O)N1CCn2nc(C3CC3)cc2C1.
What is the InChIKey of 2-cyclopropyl-5-(4-fluoro-2-methylphenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine?
The InChIKey is VWIICBBTOZTICY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O2S/c1-11-8-13(17)4-5-16(11)23(21,22)19-6-7-20-14(10-19)9-15(18-20)12-2-3-12/h4-5,8-9,12H,2-3,6-7,10H2,1H3.
What are the key properties of 2-cyclopropyl-5-(4-fluoro-2-methylphenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine?
2-cyclopropyl-5-(4-fluoro-2-methylphenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine has a molecular weight of 335.40 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-(4-fluoro-2-methylphenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 119103088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).