[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] 5-methyl-1-phenylpyrazole-4-carboxylate

C19H14ClF3N4O3 — CID 25371997

IUPAC[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] 5-methyl-1-phenylpyrazole-4-carboxylate
SMILESCc1c(C(=O)OCC(=O)Nc2ncc(C(F)(F)F)cc2Cl)cnn1-c1ccccc1
InChIInChI=1S/C19H14ClF3N4O3/c1-11-14(9-25-27(11)13-5-3-2-4-6-13)18(29)30-10-16(28)26-17-15(20)7-12(8-24-17)19(21,22)23/h2-9H,10H2,1H3,(H,24,26,28)
InChIKeyNVEJGAQPFCYWDF-UHFFFAOYSA-N
MW438.79 g/mol
LogP4.04
Rot. Bonds5

About [2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] 5-methyl-1-phenylpyrazole-4-carboxylate

[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] 5-methyl-1-phenylpyrazole-4-carboxylate (PubChem CID 25371997) has the molecular formula C19H14ClF3N4O3 and a molecular weight of 438.79 g/mol. Its IUPAC name is [2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] 5-methyl-1-phenylpyrazole-4-carboxylate.

Molecular Properties

Compound Name[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] 5-methyl-1-phenylpyrazole-4-carboxylate
PubChem CID25371997
Molecular FormulaC19H14ClF3N4O3
Molecular Weight438.79 g/mol
Exact Mass438.07
IUPAC Name[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] 5-methyl-1-phenylpyrazole-4-carboxylate
SMILESCc1c(C(=O)OCC(=O)Nc2ncc(C(F)(F)F)cc2Cl)cnn1-c1ccccc1
InChIInChI=1S/C19H14ClF3N4O3/c1-11-14(9-25-27(11)13-5-3-2-4-6-13)18(29)30-10-16(28)26-17-15(20)7-12(8-24-17)19(21,22)23/h2-9H,10H2,1H3,(H,24,26,28)
InChIKeyNVEJGAQPFCYWDF-UHFFFAOYSA-N
XLogP4.04
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.79
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1,3-Diphenyl-4-pyrazolecarboxylic acid [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] ester
CID 3352398
[1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] (E)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enoate
CID 6305059
[(3-tert-butyl-1-phenyl-1H-pyrazol-5-yl)carbamoyl]methyl 5,6-dichloropyridine-3-carboxylate
CID 16265338
[2-[(3,5-Dichloro-2-pyridinyl)amino]-2-oxoethyl] 3-(4-methylphenyl)-1-phenylpyrazole-4-carboxylate
CID 2373891
[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] (E)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enoate
CID 2426934
[2-[(3,5-Dichloro-2-pyridinyl)amino]-2-oxoethyl] 3-(4-fluorophenyl)-1-phenylpyrazole-4-carboxylate
CID 2432199
[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] (E)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enoate
CID 2532195
Ethyl 1-[3-[(2,3-dichlorophenyl)carbamoylamino]-2-pyridinyl]-3,5-dimethylpyrazole-4-carboxylate
CID 2740956
1-(4-chlorophenyl)-N-pyridin-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 35035539
ethyl 1-(5-((4-fluorobenzyl)carbamoyl)pyridin-2-yl)-5-methyl-1H-pyrazole-4-carboxylate
CID 49665824
N-(5-chloro-2-pyridinyl)-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 76323895
N-(5-chloro-2-pyridinyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 76331129

Frequently Asked Questions

What is the IUPAC name of [2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] 5-methyl-1-phenylpyrazole-4-carboxylate?
The IUPAC name of [2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] 5-methyl-1-phenylpyrazole-4-carboxylate (CID 25371997) is [2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] 5-methyl-1-phenylpyrazole-4-carboxylate.
What is the SMILES notation for [2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] 5-methyl-1-phenylpyrazole-4-carboxylate?
The canonical SMILES for [2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] 5-methyl-1-phenylpyrazole-4-carboxylate is Cc1c(C(=O)OCC(=O)Nc2ncc(C(F)(F)F)cc2Cl)cnn1-c1ccccc1.
What is the InChIKey of [2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] 5-methyl-1-phenylpyrazole-4-carboxylate?
The InChIKey is NVEJGAQPFCYWDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClF3N4O3/c1-11-14(9-25-27(11)13-5-3-2-4-6-13)18(29)30-10-16(28)26-17-15(20)7-12(8-24-17)19(21,22)23/h2-9H,10H2,1H3,(H,24,26,28).
What are the key properties of [2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] 5-methyl-1-phenylpyrazole-4-carboxylate?
[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] 5-methyl-1-phenylpyrazole-4-carboxylate has a molecular weight of 438.79 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] 5-methyl-1-phenylpyrazole-4-carboxylate is sourced from PubChem (CID 25371997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).