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

C19H13F3N6O2 — CID 140862068

IUPAC5-amino-1-[2-(1,3-oxazol-5-yl)phenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
SMILESNc1c(C(=O)Nc2ccc(C(F)(F)F)cn2)cnn1-c1ccccc1-c1cnco1
InChIInChI=1S/C19H13F3N6O2/c20-19(21,22)11-5-6-16(25-7-11)27-18(29)13-8-26-28(17(13)23)14-4-2-1-3-12(14)15-9-24-10-30-15/h1-10H,23H2,(H,25,27,29)
InChIKeyURUJTNXPYWENRJ-UHFFFAOYSA-N
MW414.35 g/mol
LogP3.78
Rot. Bonds4

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

5-amino-1-[2-(1,3-oxazol-5-yl)phenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide (PubChem CID 140862068) has the molecular formula C19H13F3N6O2 and a molecular weight of 414.35 g/mol. Its IUPAC name is 5-amino-1-[2-(1,3-oxazol-5-yl)phenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-[2-(1,3-oxazol-5-yl)phenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
PubChem CID140862068
Molecular FormulaC19H13F3N6O2
Molecular Weight414.35 g/mol
Exact Mass414.11
IUPAC Name5-amino-1-[2-(1,3-oxazol-5-yl)phenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
SMILESNc1c(C(=O)Nc2ccc(C(F)(F)F)cn2)cnn1-c1ccccc1-c1cnco1
InChIInChI=1S/C19H13F3N6O2/c20-19(21,22)11-5-6-16(25-7-11)27-18(29)13-8-26-28(17(13)23)14-4-2-1-3-12(14)15-9-24-10-30-15/h1-10H,23H2,(H,25,27,29)
InChIKeyURUJTNXPYWENRJ-UHFFFAOYSA-N
XLogP3.78
TPSA111.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.35
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[2-(1,3-oxazol-5-yl)phenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?
The IUPAC name of 5-amino-1-[2-(1,3-oxazol-5-yl)phenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide (CID 140862068) is 5-amino-1-[2-(1,3-oxazol-5-yl)phenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-[2-(1,3-oxazol-5-yl)phenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-1-[2-(1,3-oxazol-5-yl)phenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide is Nc1c(C(=O)Nc2ccc(C(F)(F)F)cn2)cnn1-c1ccccc1-c1cnco1.
What is the InChIKey of 5-amino-1-[2-(1,3-oxazol-5-yl)phenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?
The InChIKey is URUJTNXPYWENRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N6O2/c20-19(21,22)11-5-6-16(25-7-11)27-18(29)13-8-26-28(17(13)23)14-4-2-1-3-12(14)15-9-24-10-30-15/h1-10H,23H2,(H,25,27,29).
What are the key properties of 5-amino-1-[2-(1,3-oxazol-5-yl)phenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?
5-amino-1-[2-(1,3-oxazol-5-yl)phenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide has a molecular weight of 414.35 g/mol, XLogP of 3.78, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[2-(1,3-oxazol-5-yl)phenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide is sourced from PubChem (CID 140862068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).