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

C17H20F3N5O2S — CID 91816578

IUPAC5-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide
SMILESCc1nc(C)c(C(=O)N2CCC(c3cc(C(=O)NCC(F)(F)F)n[nH]3)CC2)s1
InChIInChI=1S/C17H20F3N5O2S/c1-9-14(28-10(2)22-9)16(27)25-5-3-11(4-6-25)12-7-13(24-23-12)15(26)21-8-17(18,19)20/h7,11H,3-6,8H2,1-2H3,(H,21,26)(H,23,24)
InChIKeyKDJOKRILPHYGLP-UHFFFAOYSA-N
MW415.44 g/mol
LogP2.79
Rot. Bonds4

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

5-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide (PubChem CID 91816578) has the molecular formula C17H20F3N5O2S and a molecular weight of 415.44 g/mol. Its IUPAC name is 5-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide
PubChem CID91816578
Molecular FormulaC17H20F3N5O2S
Molecular Weight415.44 g/mol
Exact Mass415.13
IUPAC Name5-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide
SMILESCc1nc(C)c(C(=O)N2CCC(c3cc(C(=O)NCC(F)(F)F)n[nH]3)CC2)s1
InChIInChI=1S/C17H20F3N5O2S/c1-9-14(28-10(2)22-9)16(27)25-5-3-11(4-6-25)12-7-13(24-23-12)15(26)21-8-17(18,19)20/h7,11H,3-6,8H2,1-2H3,(H,21,26)(H,23,24)
InChIKeyKDJOKRILPHYGLP-UHFFFAOYSA-N
XLogP2.79
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.44
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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-ethylsulfanylbenzoyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide
CID 91816577
5-[1-(1,3-benzothiazole-6-carbonyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide
CID 91816561
5-[1-[(2R)-2-pyrazol-1-ylpropanoyl]piperidin-4-yl]-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide
CID 100680284
5-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide
CID 91816605
2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 98061474
(2,4-dimethyl-1,3-thiazol-5-yl)-(4-phenylpiperidin-1-yl)methanone
CID 39581415
2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-N-[(3-methylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 23733281
(2,4-dimethyl-1,3-thiazol-5-yl)-[4-[2-(methylamino)ethyl]piperidin-1-yl]methanone
CID 103887558
2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-N-[(5-methylfuran-2-yl)methyl]-1,3-thiazole-4-carboxamide
CID 23823734
(2,4-dimethyl-1,3-thiazol-5-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 103807604
5-cyclopropyl-N-(2-methyl-2-morpholin-4-ylbutyl)-1H-pyrazole-3-carboxamide
CID 42959789

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide (CID 91816578) is 5-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide is Cc1nc(C)c(C(=O)N2CCC(c3cc(C(=O)NCC(F)(F)F)n[nH]3)CC2)s1.
What is the InChIKey of 5-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide?
The InChIKey is KDJOKRILPHYGLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N5O2S/c1-9-14(28-10(2)22-9)16(27)25-5-3-11(4-6-25)12-7-13(24-23-12)15(26)21-8-17(18,19)20/h7,11H,3-6,8H2,1-2H3,(H,21,26)(H,23,24).
What are the key properties of 5-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide?
5-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide has a molecular weight of 415.44 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 91816578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).