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

C12H11F3N4O — CID 58270480

IUPACN-methyl-1-pyridin-3-yl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
SMILESCN(CC(F)(F)F)C(=O)c1cnn(-c2cccnc2)c1
InChIInChI=1S/C12H11F3N4O/c1-18(8-12(13,14)15)11(20)9-5-17-19(7-9)10-3-2-4-16-6-10/h2-7H,8H2,1H3
InChIKeyTXTAJDVRAHZFKH-UHFFFAOYSA-N
MW284.24 g/mol
LogP1.90
Rot. Bonds3

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

N-methyl-1-pyridin-3-yl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide (PubChem CID 58270480) has the molecular formula C12H11F3N4O and a molecular weight of 284.24 g/mol. Its IUPAC name is N-methyl-1-pyridin-3-yl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-methyl-1-pyridin-3-yl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
PubChem CID58270480
Molecular FormulaC12H11F3N4O
Molecular Weight284.24 g/mol
Exact Mass284.09
IUPAC NameN-methyl-1-pyridin-3-yl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
SMILESCN(CC(F)(F)F)C(=O)c1cnn(-c2cccnc2)c1
InChIInChI=1S/C12H11F3N4O/c1-18(8-12(13,14)15)11(20)9-5-17-19(7-9)10-3-2-4-16-6-10/h2-7H,8H2,1H3
InChIKeyTXTAJDVRAHZFKH-UHFFFAOYSA-N
XLogP1.90
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.24
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-pyridin-3-yl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide?
The IUPAC name of N-methyl-1-pyridin-3-yl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide (CID 58270480) is N-methyl-1-pyridin-3-yl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-methyl-1-pyridin-3-yl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-methyl-1-pyridin-3-yl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide is CN(CC(F)(F)F)C(=O)c1cnn(-c2cccnc2)c1.
What is the InChIKey of N-methyl-1-pyridin-3-yl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide?
The InChIKey is TXTAJDVRAHZFKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N4O/c1-18(8-12(13,14)15)11(20)9-5-17-19(7-9)10-3-2-4-16-6-10/h2-7H,8H2,1H3.
What are the key properties of N-methyl-1-pyridin-3-yl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide?
N-methyl-1-pyridin-3-yl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide has a molecular weight of 284.24 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-pyridin-3-yl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 58270480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).