(4R)-4-cyclopropyl-5-[4-(trifluoromethyl)phenyl]sulfonyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole

C15H14F3N3O2S — CID 25095935

IUPAC(4R)-4-cyclopropyl-5-[4-(trifluoromethyl)phenyl]sulfonyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole
SMILESO=S(=O)(c1ccc(C(F)(F)F)cc1)N1Cc2[nH]ncc2[C@H]1C1CC1
InChIInChI=1S/C15H14F3N3O2S/c16-15(17,18)10-3-5-11(6-4-10)24(22,23)21-8-13-12(7-19-20-13)14(21)9-1-2-9/h3-7,9,14H,1-2,8H2,(H,19,20)/t14-/m1/s1
InChIKeyCQFGGNHYGQKXEQ-CQSZACIVSA-N
MW357.36 g/mol
LogP3.08
Rot. Bonds3

About (4R)-4-cyclopropyl-5-[4-(trifluoromethyl)phenyl]sulfonyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole

(4R)-4-cyclopropyl-5-[4-(trifluoromethyl)phenyl]sulfonyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole (PubChem CID 25095935) has the molecular formula C15H14F3N3O2S and a molecular weight of 357.36 g/mol. Its IUPAC name is (4R)-4-cyclopropyl-5-[4-(trifluoromethyl)phenyl]sulfonyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole.

Molecular Properties

Compound Name(4R)-4-cyclopropyl-5-[4-(trifluoromethyl)phenyl]sulfonyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole
PubChem CID25095935
Molecular FormulaC15H14F3N3O2S
Molecular Weight357.36 g/mol
Exact Mass357.08
IUPAC Name(4R)-4-cyclopropyl-5-[4-(trifluoromethyl)phenyl]sulfonyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole
SMILESO=S(=O)(c1ccc(C(F)(F)F)cc1)N1Cc2[nH]ncc2[C@H]1C1CC1
InChIInChI=1S/C15H14F3N3O2S/c16-15(17,18)10-3-5-11(6-4-10)24(22,23)21-8-13-12(7-19-20-13)14(21)9-1-2-9/h3-7,9,14H,1-2,8H2,(H,19,20)/t14-/m1/s1
InChIKeyCQFGGNHYGQKXEQ-CQSZACIVSA-N
XLogP3.08
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.36
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-cyclopropyl-5-[4-(trifluoromethyl)phenyl]sulfonyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole?
The IUPAC name of (4R)-4-cyclopropyl-5-[4-(trifluoromethyl)phenyl]sulfonyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole (CID 25095935) is (4R)-4-cyclopropyl-5-[4-(trifluoromethyl)phenyl]sulfonyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole.
What is the SMILES notation for (4R)-4-cyclopropyl-5-[4-(trifluoromethyl)phenyl]sulfonyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole?
The canonical SMILES for (4R)-4-cyclopropyl-5-[4-(trifluoromethyl)phenyl]sulfonyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole is O=S(=O)(c1ccc(C(F)(F)F)cc1)N1Cc2[nH]ncc2[C@H]1C1CC1.
What is the InChIKey of (4R)-4-cyclopropyl-5-[4-(trifluoromethyl)phenyl]sulfonyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole?
The InChIKey is CQFGGNHYGQKXEQ-CQSZACIVSA-N. The full InChI is InChI=1S/C15H14F3N3O2S/c16-15(17,18)10-3-5-11(6-4-10)24(22,23)21-8-13-12(7-19-20-13)14(21)9-1-2-9/h3-7,9,14H,1-2,8H2,(H,19,20)/t14-/m1/s1.
What are the key properties of (4R)-4-cyclopropyl-5-[4-(trifluoromethyl)phenyl]sulfonyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole?
(4R)-4-cyclopropyl-5-[4-(trifluoromethyl)phenyl]sulfonyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole has a molecular weight of 357.36 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-cyclopropyl-5-[4-(trifluoromethyl)phenyl]sulfonyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole is sourced from PubChem (CID 25095935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).