1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(1-propan-2-ylpiperidin-4-yl)-5-[2-(trifluoromethyl)pyrrolidine-1-carbonyl]pyrazole-3-carboxamide

C26H30ClF3N6O3S — CID 10483704

IUPAC1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(1-propan-2-ylpiperidin-4-yl)-5-[2-(trifluoromethyl)pyrrolidine-1-carbonyl]pyrazole-3-carboxamide
SMILESCC(C)N1CCC(NC(=O)c2cc(C(=O)N3CCCC3C(F)(F)F)n(Cc3cc(-c4ccc(Cl)s4)on3)n2)CC1
InChIInChI=1S/C26H30ClF3N6O3S/c1-15(2)34-10-7-16(8-11-34)31-24(37)18-13-19(25(38)35-9-3-4-22(35)26(28,29)30)36(32-18)14-17-12-20(39-33-17)21-5-6-23(27)40-21/h5-6,12-13,15-16,22H,3-4,7-11,14H2,1-2H3,(H,31,37)
InChIKeyUBLJZAIYKTXMGT-UHFFFAOYSA-N
MW599.08 g/mol
LogP5.07
Rot. Bonds7

About 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(1-propan-2-ylpiperidin-4-yl)-5-[2-(trifluoromethyl)pyrrolidine-1-carbonyl]pyrazole-3-carboxamide

1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(1-propan-2-ylpiperidin-4-yl)-5-[2-(trifluoromethyl)pyrrolidine-1-carbonyl]pyrazole-3-carboxamide (PubChem CID 10483704) has the molecular formula C26H30ClF3N6O3S and a molecular weight of 599.08 g/mol. Its IUPAC name is 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(1-propan-2-ylpiperidin-4-yl)-5-[2-(trifluoromethyl)pyrrolidine-1-carbonyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(1-propan-2-ylpiperidin-4-yl)-5-[2-(trifluoromethyl)pyrrolidine-1-carbonyl]pyrazole-3-carboxamide
PubChem CID10483704
Molecular FormulaC26H30ClF3N6O3S
Molecular Weight599.08 g/mol
Exact Mass598.17
IUPAC Name1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(1-propan-2-ylpiperidin-4-yl)-5-[2-(trifluoromethyl)pyrrolidine-1-carbonyl]pyrazole-3-carboxamide
SMILESCC(C)N1CCC(NC(=O)c2cc(C(=O)N3CCCC3C(F)(F)F)n(Cc3cc(-c4ccc(Cl)s4)on3)n2)CC1
InChIInChI=1S/C26H30ClF3N6O3S/c1-15(2)34-10-7-16(8-11-34)31-24(37)18-13-19(25(38)35-9-3-4-22(35)26(28,29)30)36(32-18)14-17-12-20(39-33-17)21-5-6-23(27)40-21/h5-6,12-13,15-16,22H,3-4,7-11,14H2,1-2H3,(H,31,37)
InChIKeyUBLJZAIYKTXMGT-UHFFFAOYSA-N
XLogP5.07
TPSA96.50 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500599.08
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(1-propan-2-ylpiperidin-4-yl)-5-[2-(trifluoromethyl)pyrrolidine-1-carbonyl]pyrazole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(1-propan-2-ylpiperidin-4-yl)-5-[2-(trifluoromethyl)pyrrolidine-1-carbonyl]pyrazole-3-carboxamide?
The IUPAC name of 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(1-propan-2-ylpiperidin-4-yl)-5-[2-(trifluoromethyl)pyrrolidine-1-carbonyl]pyrazole-3-carboxamide (CID 10483704) is 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(1-propan-2-ylpiperidin-4-yl)-5-[2-(trifluoromethyl)pyrrolidine-1-carbonyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(1-propan-2-ylpiperidin-4-yl)-5-[2-(trifluoromethyl)pyrrolidine-1-carbonyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(1-propan-2-ylpiperidin-4-yl)-5-[2-(trifluoromethyl)pyrrolidine-1-carbonyl]pyrazole-3-carboxamide is CC(C)N1CCC(NC(=O)c2cc(C(=O)N3CCCC3C(F)(F)F)n(Cc3cc(-c4ccc(Cl)s4)on3)n2)CC1.
What is the InChIKey of 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(1-propan-2-ylpiperidin-4-yl)-5-[2-(trifluoromethyl)pyrrolidine-1-carbonyl]pyrazole-3-carboxamide?
The InChIKey is UBLJZAIYKTXMGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30ClF3N6O3S/c1-15(2)34-10-7-16(8-11-34)31-24(37)18-13-19(25(38)35-9-3-4-22(35)26(28,29)30)36(32-18)14-17-12-20(39-33-17)21-5-6-23(27)40-21/h5-6,12-13,15-16,22H,3-4,7-11,14H2,1-2H3,(H,31,37).
What are the key properties of 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(1-propan-2-ylpiperidin-4-yl)-5-[2-(trifluoromethyl)pyrrolidine-1-carbonyl]pyrazole-3-carboxamide?
1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(1-propan-2-ylpiperidin-4-yl)-5-[2-(trifluoromethyl)pyrrolidine-1-carbonyl]pyrazole-3-carboxamide has a molecular weight of 599.08 g/mol, XLogP of 5.07, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(1-propan-2-ylpiperidin-4-yl)-5-[2-(trifluoromethyl)pyrrolidine-1-carbonyl]pyrazole-3-carboxamide is sourced from PubChem (CID 10483704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).