tert-butyl 2-[1-ethyl-5-(trifluoromethyl)pyrazol-4-yl]sulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylate

C16H20F3N5O4S — CID 164872233

IUPACtert-butyl 2-[1-ethyl-5-(trifluoromethyl)pyrazol-4-yl]sulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylate
SMILESCCn1ncc(S(=O)(=O)n2cc3c(n2)CN(C(=O)OC(C)(C)C)C3)c1C(F)(F)F
InChIInChI=1S/C16H20F3N5O4S/c1-5-23-13(16(17,18)19)12(6-20-23)29(26,27)24-8-10-7-22(9-11(10)21-24)14(25)28-15(2,3)4/h6,8H,5,7,9H2,1-4H3
InChIKeyFAMPAUCMABGEND-UHFFFAOYSA-N
MW435.43 g/mol
LogP2.61
Rot. Bonds3

About tert-butyl 2-[1-ethyl-5-(trifluoromethyl)pyrazol-4-yl]sulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylate

tert-butyl 2-[1-ethyl-5-(trifluoromethyl)pyrazol-4-yl]sulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylate (PubChem CID 164872233) has the molecular formula C16H20F3N5O4S and a molecular weight of 435.43 g/mol. Its IUPAC name is tert-butyl 2-[1-ethyl-5-(trifluoromethyl)pyrazol-4-yl]sulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[1-ethyl-5-(trifluoromethyl)pyrazol-4-yl]sulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylate
PubChem CID164872233
Molecular FormulaC16H20F3N5O4S
Molecular Weight435.43 g/mol
Exact Mass435.12
IUPAC Nametert-butyl 2-[1-ethyl-5-(trifluoromethyl)pyrazol-4-yl]sulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylate
SMILESCCn1ncc(S(=O)(=O)n2cc3c(n2)CN(C(=O)OC(C)(C)C)C3)c1C(F)(F)F
InChIInChI=1S/C16H20F3N5O4S/c1-5-23-13(16(17,18)19)12(6-20-23)29(26,27)24-8-10-7-22(9-11(10)21-24)14(25)28-15(2,3)4/h6,8H,5,7,9H2,1-4H3
InChIKeyFAMPAUCMABGEND-UHFFFAOYSA-N
XLogP2.61
TPSA99.32 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.43
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze tert-butyl 2-[1-ethyl-5-(trifluoromethyl)pyrazol-4-yl]sulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 2-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-ylsulfonyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylate
CID 156875886
tert-butyl 2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylate
CID 164872076
tert-butyl 2-[1-(2-methoxyethyl)pyrazol-3-yl]sulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylate
CID 164872327
tert-butyl 2-sulfanyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylate
CID 169217625
tert-butyl 2-[4-(aminomethyl)phenyl]-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylate
CID 129155278
tert-butyl 2-furo[2,3-b]pyridin-5-ylsulfanyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylate
CID 156875628
tert-butyl 2-(4-methoxyphenyl)sulfanyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylate
CID 156875796
tert-butyl 11-methyl-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene-5-carboxylate
CID 68659021
tert-butyl 2-[(3-chlorophenyl)methyl]-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylate
CID 155591357
tert-butyl 6-ethyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxylate
CID 163817292
tert-butyl 2-[2-[3,5-bis(trifluoromethyl)phenyl]ethylamino]-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate
CID 162717440
tert-butyl 2-(cyclopropylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carboxylate
CID 129261973

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[1-ethyl-5-(trifluoromethyl)pyrazol-4-yl]sulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylate?
The IUPAC name of tert-butyl 2-[1-ethyl-5-(trifluoromethyl)pyrazol-4-yl]sulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylate (CID 164872233) is tert-butyl 2-[1-ethyl-5-(trifluoromethyl)pyrazol-4-yl]sulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylate.
What is the SMILES notation for tert-butyl 2-[1-ethyl-5-(trifluoromethyl)pyrazol-4-yl]sulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylate?
The canonical SMILES for tert-butyl 2-[1-ethyl-5-(trifluoromethyl)pyrazol-4-yl]sulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylate is CCn1ncc(S(=O)(=O)n2cc3c(n2)CN(C(=O)OC(C)(C)C)C3)c1C(F)(F)F.
What is the InChIKey of tert-butyl 2-[1-ethyl-5-(trifluoromethyl)pyrazol-4-yl]sulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylate?
The InChIKey is FAMPAUCMABGEND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N5O4S/c1-5-23-13(16(17,18)19)12(6-20-23)29(26,27)24-8-10-7-22(9-11(10)21-24)14(25)28-15(2,3)4/h6,8H,5,7,9H2,1-4H3.
What are the key properties of tert-butyl 2-[1-ethyl-5-(trifluoromethyl)pyrazol-4-yl]sulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylate?
tert-butyl 2-[1-ethyl-5-(trifluoromethyl)pyrazol-4-yl]sulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylate has a molecular weight of 435.43 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[1-ethyl-5-(trifluoromethyl)pyrazol-4-yl]sulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylate is sourced from PubChem (CID 164872233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).