5-[1-(2-ethylsulfanylbenzoyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide

C20H23F3N4O2S — CID 91816577

IUPAC5-[1-(2-ethylsulfanylbenzoyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide
SMILESCCSc1ccccc1C(=O)N1CCC(c2cc(C(=O)NCC(F)(F)F)n[nH]2)CC1
InChIInChI=1S/C20H23F3N4O2S/c1-2-30-17-6-4-3-5-14(17)19(29)27-9-7-13(8-10-27)15-11-16(26-25-15)18(28)24-12-20(21,22)23/h3-6,11,13H,2,7-10,12H2,1H3,(H,24,28)(H,25,26)
InChIKeyNZDXUZFCOVDGPR-UHFFFAOYSA-N
MW440.49 g/mol
LogP3.83
Rot. Bonds6

About 5-[1-(2-ethylsulfanylbenzoyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide

5-[1-(2-ethylsulfanylbenzoyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide (PubChem CID 91816577) has the molecular formula C20H23F3N4O2S and a molecular weight of 440.49 g/mol. Its IUPAC name is 5-[1-(2-ethylsulfanylbenzoyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-[1-(2-ethylsulfanylbenzoyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide
PubChem CID91816577
Molecular FormulaC20H23F3N4O2S
Molecular Weight440.49 g/mol
Exact Mass440.15
IUPAC Name5-[1-(2-ethylsulfanylbenzoyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide
SMILESCCSc1ccccc1C(=O)N1CCC(c2cc(C(=O)NCC(F)(F)F)n[nH]2)CC1
InChIInChI=1S/C20H23F3N4O2S/c1-2-30-17-6-4-3-5-14(17)19(29)27-9-7-13(8-10-27)15-11-16(26-25-15)18(28)24-12-20(21,22)23/h3-6,11,13H,2,7-10,12H2,1H3,(H,24,28)(H,25,26)
InChIKeyNZDXUZFCOVDGPR-UHFFFAOYSA-N
XLogP3.83
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.49
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[1-(2-ethylsulfanylbenzoyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide 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

5-[1-(2-pyrrol-1-ylacetyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide
CID 91816588
5-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide
CID 91816578
5-[1-[(2R)-2-pyrazol-1-ylpropanoyl]piperidin-4-yl]-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide
CID 100680284
5-[1-(1,3-benzothiazole-6-carbonyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide
CID 91816561
5-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide
CID 91816605
(2-ethylsulfanylphenyl)-(4-thiophen-3-ylpiperidin-1-yl)methanone
CID 71786986
5-cyclopropyl-N-(2-phenylpropyl)-1H-pyrazole-3-carboxamide
CID 20918125
5-[1-(2-ethylsulfanylbenzoyl)piperidin-4-yl]-2-methyl-4-phenyl-1,2,4-triazol-3-one
CID 90540480
(2-ethylsulfanylphenyl)-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 90558763
methyl 5-[1-(5-methyl-1-phenylpyrazole-4-carbonyl)piperidin-4-yl]-1H-pyrazole-3-carboxylate
CID 155958342
(2-ethylsulfanylphenyl)-[3-(triazol-2-yl)pyrrolidin-1-yl]methanone
CID 121178535
2-benzyl-4-ethyl-5-[1-(2-ethylsulfanylbenzoyl)piperidin-4-yl]-1,2,4-triazol-3-one
CID 121115527

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-ethylsulfanylbenzoyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-[1-(2-ethylsulfanylbenzoyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide (CID 91816577) is 5-[1-(2-ethylsulfanylbenzoyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-[1-(2-ethylsulfanylbenzoyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-[1-(2-ethylsulfanylbenzoyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide is CCSc1ccccc1C(=O)N1CCC(c2cc(C(=O)NCC(F)(F)F)n[nH]2)CC1.
What is the InChIKey of 5-[1-(2-ethylsulfanylbenzoyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide?
The InChIKey is NZDXUZFCOVDGPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N4O2S/c1-2-30-17-6-4-3-5-14(17)19(29)27-9-7-13(8-10-27)15-11-16(26-25-15)18(28)24-12-20(21,22)23/h3-6,11,13H,2,7-10,12H2,1H3,(H,24,28)(H,25,26).
What are the key properties of 5-[1-(2-ethylsulfanylbenzoyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide?
5-[1-(2-ethylsulfanylbenzoyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide has a molecular weight of 440.49 g/mol, XLogP of 3.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-ethylsulfanylbenzoyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 91816577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).