5-(1-ethylpyrazol-4-yl)sulfonyl-2-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine

C19H20F3N5O2S — CID 53186374

IUPAC5-(1-ethylpyrazol-4-yl)sulfonyl-2-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine
SMILESCCn1cc(S(=O)(=O)N2CCCn3nc(-c4cccc(C(F)(F)F)c4)cc3C2)cn1
InChIInChI=1S/C19H20F3N5O2S/c1-2-25-13-17(11-23-25)30(28,29)26-7-4-8-27-16(12-26)10-18(24-27)14-5-3-6-15(9-14)19(20,21)22/h3,5-6,9-11,13H,2,4,7-8,12H2,1H3
InChIKeyQVHHZYYOBODRGZ-UHFFFAOYSA-N
MW439.46 g/mol
LogP3.38
Rot. Bonds4

About 5-(1-ethylpyrazol-4-yl)sulfonyl-2-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine

5-(1-ethylpyrazol-4-yl)sulfonyl-2-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine (PubChem CID 53186374) has the molecular formula C19H20F3N5O2S and a molecular weight of 439.46 g/mol. Its IUPAC name is 5-(1-ethylpyrazol-4-yl)sulfonyl-2-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine.

Molecular Properties

Compound Name5-(1-ethylpyrazol-4-yl)sulfonyl-2-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine
PubChem CID53186374
Molecular FormulaC19H20F3N5O2S
Molecular Weight439.46 g/mol
Exact Mass439.13
IUPAC Name5-(1-ethylpyrazol-4-yl)sulfonyl-2-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine
SMILESCCn1cc(S(=O)(=O)N2CCCn3nc(-c4cccc(C(F)(F)F)c4)cc3C2)cn1
InChIInChI=1S/C19H20F3N5O2S/c1-2-25-13-17(11-23-25)30(28,29)26-7-4-8-27-16(12-26)10-18(24-27)14-5-3-6-15(9-14)19(20,21)22/h3,5-6,9-11,13H,2,4,7-8,12H2,1H3
InChIKeyQVHHZYYOBODRGZ-UHFFFAOYSA-N
XLogP3.38
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.46
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-(1-ethylpyrazol-4-yl)sulfonyl-2-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine 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

2-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole
CID 67438172
5-(pyridin-4-ylmethyl)-2-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine
CID 53186406
1-[2-(3-methylphenyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-2-[3-(trifluoromethyl)phenyl]ethanone
CID 53165035
4-[4-(1-ethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-6-(3-methoxyphenyl)pyrimidine
CID 131841726
5-pyrrolidin-1-ylsulfonyl-1-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]pyridin-2-one
CID 30175663
2-[3-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 72698972
2-phenyl-6-[3-(trifluoromethyl)phenyl]sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 53147437
5-(1-ethylpyrazol-4-yl)sulfonyl-1-methyl-1,5-diazacycloundecan-2-one
CID 110201452
3-[1-(1-ethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-5-pyridin-3-yl-1,2,4-oxadiazole
CID 91905638
1-(4-tert-butylphenyl)sulfonyl-4-[3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidine
CID 1485734
1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4-sulfonamide
CID 79001292
1-[1-(1-ethylpyrazol-4-yl)sulfonyl-4-phenylpiperidin-4-yl]ethanone
CID 56903815

Frequently Asked Questions

What is the IUPAC name of 5-(1-ethylpyrazol-4-yl)sulfonyl-2-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine?
The IUPAC name of 5-(1-ethylpyrazol-4-yl)sulfonyl-2-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine (CID 53186374) is 5-(1-ethylpyrazol-4-yl)sulfonyl-2-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine.
What is the SMILES notation for 5-(1-ethylpyrazol-4-yl)sulfonyl-2-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine?
The canonical SMILES for 5-(1-ethylpyrazol-4-yl)sulfonyl-2-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine is CCn1cc(S(=O)(=O)N2CCCn3nc(-c4cccc(C(F)(F)F)c4)cc3C2)cn1.
What is the InChIKey of 5-(1-ethylpyrazol-4-yl)sulfonyl-2-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine?
The InChIKey is QVHHZYYOBODRGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N5O2S/c1-2-25-13-17(11-23-25)30(28,29)26-7-4-8-27-16(12-26)10-18(24-27)14-5-3-6-15(9-14)19(20,21)22/h3,5-6,9-11,13H,2,4,7-8,12H2,1H3.
What are the key properties of 5-(1-ethylpyrazol-4-yl)sulfonyl-2-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine?
5-(1-ethylpyrazol-4-yl)sulfonyl-2-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine has a molecular weight of 439.46 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-ethylpyrazol-4-yl)sulfonyl-2-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine is sourced from PubChem (CID 53186374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).