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

C20H14F4N6O2 — CID 140862163

IUPAC5-amino-1-[3-fluoro-2-(1,3-oxazol-5-yl)phenyl]-3-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
SMILESCc1nn(-c2cccc(F)c2-c2cnco2)c(N)c1C(=O)Nc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C20H14F4N6O2/c1-10-16(19(31)28-15-6-5-11(7-27-15)20(22,23)24)18(25)30(29-10)13-4-2-3-12(21)17(13)14-8-26-9-32-14/h2-9H,25H2,1H3,(H,27,28,31)
InChIKeyGGRIAQMLJVONBU-UHFFFAOYSA-N
MW446.36 g/mol
LogP4.22
Rot. Bonds4

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

5-amino-1-[3-fluoro-2-(1,3-oxazol-5-yl)phenyl]-3-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide (PubChem CID 140862163) has the molecular formula C20H14F4N6O2 and a molecular weight of 446.36 g/mol. Its IUPAC name is 5-amino-1-[3-fluoro-2-(1,3-oxazol-5-yl)phenyl]-3-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-[3-fluoro-2-(1,3-oxazol-5-yl)phenyl]-3-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
PubChem CID140862163
Molecular FormulaC20H14F4N6O2
Molecular Weight446.36 g/mol
Exact Mass446.11
IUPAC Name5-amino-1-[3-fluoro-2-(1,3-oxazol-5-yl)phenyl]-3-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
SMILESCc1nn(-c2cccc(F)c2-c2cnco2)c(N)c1C(=O)Nc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C20H14F4N6O2/c1-10-16(19(31)28-15-6-5-11(7-27-15)20(22,23)24)18(25)30(29-10)13-4-2-3-12(21)17(13)14-8-26-9-32-14/h2-9H,25H2,1H3,(H,27,28,31)
InChIKeyGGRIAQMLJVONBU-UHFFFAOYSA-N
XLogP4.22
TPSA111.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.36
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[3-fluoro-2-(1,3-oxazol-5-yl)phenyl]-3-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?
The IUPAC name of 5-amino-1-[3-fluoro-2-(1,3-oxazol-5-yl)phenyl]-3-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide (CID 140862163) is 5-amino-1-[3-fluoro-2-(1,3-oxazol-5-yl)phenyl]-3-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-[3-fluoro-2-(1,3-oxazol-5-yl)phenyl]-3-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-1-[3-fluoro-2-(1,3-oxazol-5-yl)phenyl]-3-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide is Cc1nn(-c2cccc(F)c2-c2cnco2)c(N)c1C(=O)Nc1ccc(C(F)(F)F)cn1.
What is the InChIKey of 5-amino-1-[3-fluoro-2-(1,3-oxazol-5-yl)phenyl]-3-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?
The InChIKey is GGRIAQMLJVONBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F4N6O2/c1-10-16(19(31)28-15-6-5-11(7-27-15)20(22,23)24)18(25)30(29-10)13-4-2-3-12(21)17(13)14-8-26-9-32-14/h2-9H,25H2,1H3,(H,27,28,31).
What are the key properties of 5-amino-1-[3-fluoro-2-(1,3-oxazol-5-yl)phenyl]-3-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?
5-amino-1-[3-fluoro-2-(1,3-oxazol-5-yl)phenyl]-3-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide has a molecular weight of 446.36 g/mol, XLogP of 4.22, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[3-fluoro-2-(1,3-oxazol-5-yl)phenyl]-3-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide is sourced from PubChem (CID 140862163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).