5-amino-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide

C10H8F3N5O — CID 722157

IUPAC5-amino-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
SMILESNC(=O)c1cnn(-c2ccc(C(F)(F)F)cn2)c1N
InChIInChI=1S/C10H8F3N5O/c11-10(12,13)5-1-2-7(16-3-5)18-8(14)6(4-17-18)9(15)19/h1-4H,14H2,(H2,15,19)
InChIKeyJPBYIFKTGOUTGY-UHFFFAOYSA-N
MW271.20 g/mol
LogP0.97
Rot. Bonds2

About 5-amino-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide

5-amino-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide (PubChem CID 722157) has the molecular formula C10H8F3N5O and a molecular weight of 271.20 g/mol. Its IUPAC name is 5-amino-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
PubChem CID722157
Molecular FormulaC10H8F3N5O
Molecular Weight271.20 g/mol
Exact Mass271.07
IUPAC Name5-amino-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
SMILESNC(=O)c1cnn(-c2ccc(C(F)(F)F)cn2)c1N
InChIInChI=1S/C10H8F3N5O/c11-10(12,13)5-1-2-7(16-3-5)18-8(14)6(4-17-18)9(15)19/h1-4H,14H2,(H2,15,19)
InChIKeyJPBYIFKTGOUTGY-UHFFFAOYSA-N
XLogP0.97
TPSA99.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.20
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?
The IUPAC name of 5-amino-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide (CID 722157) is 5-amino-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide is NC(=O)c1cnn(-c2ccc(C(F)(F)F)cn2)c1N.
What is the InChIKey of 5-amino-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?
The InChIKey is JPBYIFKTGOUTGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N5O/c11-10(12,13)5-1-2-7(16-3-5)18-8(14)6(4-17-18)9(15)19/h1-4H,14H2,(H2,15,19).
What are the key properties of 5-amino-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?
5-amino-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide has a molecular weight of 271.20 g/mol, XLogP of 0.97, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide is sourced from PubChem (CID 722157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).