5-amino-3-ethyl-1-[2-(1,3-oxazol-5-yl)phenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide

C21H17F3N6O2 — CID 140861976

IUPAC5-amino-3-ethyl-1-[2-(1,3-oxazol-5-yl)phenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
SMILESCCc1nn(-c2ccccc2-c2cnco2)c(N)c1C(=O)Nc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C21H17F3N6O2/c1-2-14-18(20(31)28-17-8-7-12(9-27-17)21(22,23)24)19(25)30(29-14)15-6-4-3-5-13(15)16-10-26-11-32-16/h3-11H,2,25H2,1H3,(H,27,28,31)
InChIKeyXIQVXBRJGOGZRK-UHFFFAOYSA-N
MW442.40 g/mol
LogP4.34
Rot. Bonds5

About 5-amino-3-ethyl-1-[2-(1,3-oxazol-5-yl)phenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide

5-amino-3-ethyl-1-[2-(1,3-oxazol-5-yl)phenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide (PubChem CID 140861976) has the molecular formula C21H17F3N6O2 and a molecular weight of 442.40 g/mol. Its IUPAC name is 5-amino-3-ethyl-1-[2-(1,3-oxazol-5-yl)phenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-3-ethyl-1-[2-(1,3-oxazol-5-yl)phenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
PubChem CID140861976
Molecular FormulaC21H17F3N6O2
Molecular Weight442.40 g/mol
Exact Mass442.14
IUPAC Name5-amino-3-ethyl-1-[2-(1,3-oxazol-5-yl)phenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
SMILESCCc1nn(-c2ccccc2-c2cnco2)c(N)c1C(=O)Nc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C21H17F3N6O2/c1-2-14-18(20(31)28-17-8-7-12(9-27-17)21(22,23)24)19(25)30(29-14)15-6-4-3-5-13(15)16-10-26-11-32-16/h3-11H,2,25H2,1H3,(H,27,28,31)
InChIKeyXIQVXBRJGOGZRK-UHFFFAOYSA-N
XLogP4.34
TPSA111.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.40
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-ethyl-1-[2-(1,3-oxazol-5-yl)phenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?
The IUPAC name of 5-amino-3-ethyl-1-[2-(1,3-oxazol-5-yl)phenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide (CID 140861976) is 5-amino-3-ethyl-1-[2-(1,3-oxazol-5-yl)phenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-3-ethyl-1-[2-(1,3-oxazol-5-yl)phenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-3-ethyl-1-[2-(1,3-oxazol-5-yl)phenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide is CCc1nn(-c2ccccc2-c2cnco2)c(N)c1C(=O)Nc1ccc(C(F)(F)F)cn1.
What is the InChIKey of 5-amino-3-ethyl-1-[2-(1,3-oxazol-5-yl)phenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?
The InChIKey is XIQVXBRJGOGZRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N6O2/c1-2-14-18(20(31)28-17-8-7-12(9-27-17)21(22,23)24)19(25)30(29-14)15-6-4-3-5-13(15)16-10-26-11-32-16/h3-11H,2,25H2,1H3,(H,27,28,31).
What are the key properties of 5-amino-3-ethyl-1-[2-(1,3-oxazol-5-yl)phenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?
5-amino-3-ethyl-1-[2-(1,3-oxazol-5-yl)phenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide has a molecular weight of 442.40 g/mol, XLogP of 4.34, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-ethyl-1-[2-(1,3-oxazol-5-yl)phenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide is sourced from PubChem (CID 140861976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).