2-methyl-N-[5-[4-[3-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-thieno[3,2-c]pyrazol-3-yl]propanamide

C21H17F3N4OS — CID 156775021

IUPAC2-methyl-N-[5-[4-[3-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-thieno[3,2-c]pyrazol-3-yl]propanamide
SMILESCC(C)C(=O)Nc1n[nH]c2cc(-c3cnccc3-c3cccc(C(F)(F)F)c3)sc12
InChIInChI=1S/C21H17F3N4OS/c1-11(2)20(29)26-19-18-16(27-28-19)9-17(30-18)15-10-25-7-6-14(15)12-4-3-5-13(8-12)21(22,23)24/h3-11H,1-2H3,(H2,26,27,28,29)
InChIKeyPIDUNMFKZWKGAQ-UHFFFAOYSA-N
MW430.46 g/mol
LogP5.97
Rot. Bonds4

About 2-methyl-N-[5-[4-[3-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-thieno[3,2-c]pyrazol-3-yl]propanamide

2-methyl-N-[5-[4-[3-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-thieno[3,2-c]pyrazol-3-yl]propanamide (PubChem CID 156775021) has the molecular formula C21H17F3N4OS and a molecular weight of 430.46 g/mol. Its IUPAC name is 2-methyl-N-[5-[4-[3-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-thieno[3,2-c]pyrazol-3-yl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[5-[4-[3-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-thieno[3,2-c]pyrazol-3-yl]propanamide
PubChem CID156775021
Molecular FormulaC21H17F3N4OS
Molecular Weight430.46 g/mol
Exact Mass430.11
IUPAC Name2-methyl-N-[5-[4-[3-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-thieno[3,2-c]pyrazol-3-yl]propanamide
SMILESCC(C)C(=O)Nc1n[nH]c2cc(-c3cnccc3-c3cccc(C(F)(F)F)c3)sc12
InChIInChI=1S/C21H17F3N4OS/c1-11(2)20(29)26-19-18-16(27-28-19)9-17(30-18)15-10-25-7-6-14(15)12-4-3-5-13(8-12)21(22,23)24/h3-11H,1-2H3,(H2,26,27,28,29)
InChIKeyPIDUNMFKZWKGAQ-UHFFFAOYSA-N
XLogP5.97
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.46
LogP ≤ 55.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[5-[4-(2-methylphenyl)-3-pyridinyl]-1H-thieno[3,2-c]pyrazol-3-yl]propanamide
CID 156775016
N-(5-bromo-1H-thieno[3,2-c]pyrazol-3-yl)-2-methylpropanamide
CID 175587051
N-(5-pyridin-3-yl-1H-thieno[3,2-c]pyrazol-3-yl)butanamide
CID 156775018
N-pyridin-3-yl-2-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]propanamide
CID 58484049
2-methyl-3-[4-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]propanoic acid
CID 105424032
5-propan-2-yl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole
CID 113415724
2-hydroxy-1-[3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]propan-1-one
CID 70930857
2-methyl-N-[4-[5-(trifluoromethyl)-3-pyridinyl]phenyl]propanamide
CID 170943037
2-methyl-N-[3-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]phenyl]propanamide
CID 18870141
2-methyl-N-[3-[3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]phenyl]propanamide
CID 137088107
4-methyl-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 110860828
N-(3-chloro-4-pyridinyl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 39959255

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[5-[4-[3-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-thieno[3,2-c]pyrazol-3-yl]propanamide?
The IUPAC name of 2-methyl-N-[5-[4-[3-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-thieno[3,2-c]pyrazol-3-yl]propanamide (CID 156775021) is 2-methyl-N-[5-[4-[3-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-thieno[3,2-c]pyrazol-3-yl]propanamide.
What is the SMILES notation for 2-methyl-N-[5-[4-[3-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-thieno[3,2-c]pyrazol-3-yl]propanamide?
The canonical SMILES for 2-methyl-N-[5-[4-[3-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-thieno[3,2-c]pyrazol-3-yl]propanamide is CC(C)C(=O)Nc1n[nH]c2cc(-c3cnccc3-c3cccc(C(F)(F)F)c3)sc12.
What is the InChIKey of 2-methyl-N-[5-[4-[3-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-thieno[3,2-c]pyrazol-3-yl]propanamide?
The InChIKey is PIDUNMFKZWKGAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N4OS/c1-11(2)20(29)26-19-18-16(27-28-19)9-17(30-18)15-10-25-7-6-14(15)12-4-3-5-13(8-12)21(22,23)24/h3-11H,1-2H3,(H2,26,27,28,29).
What are the key properties of 2-methyl-N-[5-[4-[3-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-thieno[3,2-c]pyrazol-3-yl]propanamide?
2-methyl-N-[5-[4-[3-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-thieno[3,2-c]pyrazol-3-yl]propanamide has a molecular weight of 430.46 g/mol, XLogP of 5.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[5-[4-[3-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-thieno[3,2-c]pyrazol-3-yl]propanamide is sourced from PubChem (CID 156775021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).