[1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-1-oxopropan-2-yl] 1-methylpyrazole-4-carboxylate

C14H12ClF3N4O3 — CID 42894992

IUPAC[1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-1-oxopropan-2-yl] 1-methylpyrazole-4-carboxylate
SMILESCC(OC(=O)c1cnn(C)c1)C(=O)Nc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C14H12ClF3N4O3/c1-7(25-13(24)8-4-20-22(2)6-8)12(23)21-11-10(15)3-9(5-19-11)14(16,17)18/h3-7H,1-2H3,(H,19,21,23)
InChIKeyFZKFUMLLGUYFTA-UHFFFAOYSA-N
MW376.72 g/mol
LogP2.67
Rot. Bonds4

About [1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-1-oxopropan-2-yl] 1-methylpyrazole-4-carboxylate

[1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-1-oxopropan-2-yl] 1-methylpyrazole-4-carboxylate (PubChem CID 42894992) has the molecular formula C14H12ClF3N4O3 and a molecular weight of 376.72 g/mol. Its IUPAC name is [1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-1-oxopropan-2-yl] 1-methylpyrazole-4-carboxylate.

Molecular Properties

Compound Name[1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-1-oxopropan-2-yl] 1-methylpyrazole-4-carboxylate
PubChem CID42894992
Molecular FormulaC14H12ClF3N4O3
Molecular Weight376.72 g/mol
Exact Mass376.06
IUPAC Name[1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-1-oxopropan-2-yl] 1-methylpyrazole-4-carboxylate
SMILESCC(OC(=O)c1cnn(C)c1)C(=O)Nc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C14H12ClF3N4O3/c1-7(25-13(24)8-4-20-22(2)6-8)12(23)21-11-10(15)3-9(5-19-11)14(16,17)18/h3-7H,1-2H3,(H,19,21,23)
InChIKeyFZKFUMLLGUYFTA-UHFFFAOYSA-N
XLogP2.67
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.72
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-1-oxopropan-2-yl] 1-methylpyrazole-4-carboxylate with MolForge

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Related Compounds

[1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-1-oxopropan-2-yl] 4-(4-methylphenyl)-4-oxobutanoate
CID 42923481
N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetamide
CID 2800641
[(2R)-1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 3-[(1-methylpyrazol-4-yl)amino]benzoate
CID 97065428
[1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 3-[(1-methylpyrazol-4-yl)amino]benzoate
CID 71914786
2-(4-chloro-3-methylphenoxy)-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanamide
CID 171985825
[(2R)-1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 4-tert-butylbenzoate
CID 7814807
(1-anilino-1-oxopropan-2-yl) 1-methylpyrazole-4-carboxylate
CID 86909566
[1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-1-oxopropan-2-yl] 3-(3-oxo-1,4-benzoxazin-4-yl)propanoate
CID 42923536
[(2S)-1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 4-hydroxybenzoate
CID 2624812
[1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 3-fluorobenzoate
CID 16524070
[1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 1,3-benzodioxole-5-carboxylate
CID 4540567
[1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate
CID 4026490

Frequently Asked Questions

What is the IUPAC name of [1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-1-oxopropan-2-yl] 1-methylpyrazole-4-carboxylate?
The IUPAC name of [1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-1-oxopropan-2-yl] 1-methylpyrazole-4-carboxylate (CID 42894992) is [1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-1-oxopropan-2-yl] 1-methylpyrazole-4-carboxylate.
What is the SMILES notation for [1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-1-oxopropan-2-yl] 1-methylpyrazole-4-carboxylate?
The canonical SMILES for [1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-1-oxopropan-2-yl] 1-methylpyrazole-4-carboxylate is CC(OC(=O)c1cnn(C)c1)C(=O)Nc1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of [1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-1-oxopropan-2-yl] 1-methylpyrazole-4-carboxylate?
The InChIKey is FZKFUMLLGUYFTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF3N4O3/c1-7(25-13(24)8-4-20-22(2)6-8)12(23)21-11-10(15)3-9(5-19-11)14(16,17)18/h3-7H,1-2H3,(H,19,21,23).
What are the key properties of [1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-1-oxopropan-2-yl] 1-methylpyrazole-4-carboxylate?
[1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-1-oxopropan-2-yl] 1-methylpyrazole-4-carboxylate has a molecular weight of 376.72 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-1-oxopropan-2-yl] 1-methylpyrazole-4-carboxylate is sourced from PubChem (CID 42894992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).