N-(2,5-dimethylpyrazol-3-yl)-5-[2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]cyclopropyl]thiophene-3-carboxamide

C20H26F3N5OS — CID 118433227

IUPACN-(2,5-dimethylpyrazol-3-yl)-5-[2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]cyclopropyl]thiophene-3-carboxamide
SMILESCc1cc(NC(=O)c2csc(C3CC3NC3CCN(CC(F)(F)F)CC3)c2)n(C)n1
InChIInChI=1S/C20H26F3N5OS/c1-12-7-18(27(2)26-12)25-19(29)13-8-17(30-10-13)15-9-16(15)24-14-3-5-28(6-4-14)11-20(21,22)23/h7-8,10,14-16,24H,3-6,9,11H2,1-2H3,(H,25,29)
InChIKeyYQKWZUQKNNXMCA-UHFFFAOYSA-N
MW441.52 g/mol
LogP3.51
Rot. Bonds6

About N-(2,5-dimethylpyrazol-3-yl)-5-[2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]cyclopropyl]thiophene-3-carboxamide

N-(2,5-dimethylpyrazol-3-yl)-5-[2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]cyclopropyl]thiophene-3-carboxamide (PubChem CID 118433227) has the molecular formula C20H26F3N5OS and a molecular weight of 441.52 g/mol. Its IUPAC name is N-(2,5-dimethylpyrazol-3-yl)-5-[2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]cyclopropyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethylpyrazol-3-yl)-5-[2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]cyclopropyl]thiophene-3-carboxamide
PubChem CID118433227
Molecular FormulaC20H26F3N5OS
Molecular Weight441.52 g/mol
Exact Mass441.18
IUPAC NameN-(2,5-dimethylpyrazol-3-yl)-5-[2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]cyclopropyl]thiophene-3-carboxamide
SMILESCc1cc(NC(=O)c2csc(C3CC3NC3CCN(CC(F)(F)F)CC3)c2)n(C)n1
InChIInChI=1S/C20H26F3N5OS/c1-12-7-18(27(2)26-12)25-19(29)13-8-17(30-10-13)15-9-16(15)24-14-3-5-28(6-4-14)11-20(21,22)23/h7-8,10,14-16,24H,3-6,9,11H2,1-2H3,(H,25,29)
InChIKeyYQKWZUQKNNXMCA-UHFFFAOYSA-N
XLogP3.51
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.52
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-5-[2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]cyclopropyl]thiophene-3-carboxamide?
The IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-5-[2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]cyclopropyl]thiophene-3-carboxamide (CID 118433227) is N-(2,5-dimethylpyrazol-3-yl)-5-[2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]cyclopropyl]thiophene-3-carboxamide.
What is the SMILES notation for N-(2,5-dimethylpyrazol-3-yl)-5-[2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]cyclopropyl]thiophene-3-carboxamide?
The canonical SMILES for N-(2,5-dimethylpyrazol-3-yl)-5-[2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]cyclopropyl]thiophene-3-carboxamide is Cc1cc(NC(=O)c2csc(C3CC3NC3CCN(CC(F)(F)F)CC3)c2)n(C)n1.
What is the InChIKey of N-(2,5-dimethylpyrazol-3-yl)-5-[2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]cyclopropyl]thiophene-3-carboxamide?
The InChIKey is YQKWZUQKNNXMCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26F3N5OS/c1-12-7-18(27(2)26-12)25-19(29)13-8-17(30-10-13)15-9-16(15)24-14-3-5-28(6-4-14)11-20(21,22)23/h7-8,10,14-16,24H,3-6,9,11H2,1-2H3,(H,25,29).
What are the key properties of N-(2,5-dimethylpyrazol-3-yl)-5-[2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]cyclopropyl]thiophene-3-carboxamide?
N-(2,5-dimethylpyrazol-3-yl)-5-[2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]cyclopropyl]thiophene-3-carboxamide has a molecular weight of 441.52 g/mol, XLogP of 3.51, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylpyrazol-3-yl)-5-[2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]cyclopropyl]thiophene-3-carboxamide is sourced from PubChem (CID 118433227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).