1-pyridin-3-yl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide

C11H9F3N4O — CID 51050007

IUPAC1-pyridin-3-yl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
SMILESO=C(NCC(F)(F)F)c1cnn(-c2cccnc2)c1
InChIInChI=1S/C11H9F3N4O/c12-11(13,14)7-16-10(19)8-4-17-18(6-8)9-2-1-3-15-5-9/h1-6H,7H2,(H,16,19)
InChIKeyZATBUYALDPAKHC-UHFFFAOYSA-N
MW270.21 g/mol
LogP1.56
Rot. Bonds3

About 1-pyridin-3-yl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide

1-pyridin-3-yl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide (PubChem CID 51050007) has the molecular formula C11H9F3N4O and a molecular weight of 270.21 g/mol. Its IUPAC name is 1-pyridin-3-yl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-pyridin-3-yl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
PubChem CID51050007
Molecular FormulaC11H9F3N4O
Molecular Weight270.21 g/mol
Exact Mass270.07
IUPAC Name1-pyridin-3-yl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
SMILESO=C(NCC(F)(F)F)c1cnn(-c2cccnc2)c1
InChIInChI=1S/C11H9F3N4O/c12-11(13,14)7-16-10(19)8-4-17-18(6-8)9-2-1-3-15-5-9/h1-6H,7H2,(H,16,19)
InChIKeyZATBUYALDPAKHC-UHFFFAOYSA-N
XLogP1.56
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.21
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-pyridin-3-yl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-pyridin-3-yl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide (CID 51050007) is 1-pyridin-3-yl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-pyridin-3-yl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-pyridin-3-yl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide is O=C(NCC(F)(F)F)c1cnn(-c2cccnc2)c1.
What is the InChIKey of 1-pyridin-3-yl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide?
The InChIKey is ZATBUYALDPAKHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N4O/c12-11(13,14)7-16-10(19)8-4-17-18(6-8)9-2-1-3-15-5-9/h1-6H,7H2,(H,16,19).
What are the key properties of 1-pyridin-3-yl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide?
1-pyridin-3-yl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide has a molecular weight of 270.21 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-3-yl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 51050007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).