1-(3-chloro-2-pyridinyl)-N-ethoxy-3-(trifluoromethyl)pyrazole-4-carboxamide

C12H10ClF3N4O2 — CID 174831358

IUPAC1-(3-chloro-2-pyridinyl)-N-ethoxy-3-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCCONC(=O)c1cn(-c2ncccc2Cl)nc1C(F)(F)F
InChIInChI=1S/C12H10ClF3N4O2/c1-2-22-19-11(21)7-6-20(18-9(7)12(14,15)16)10-8(13)4-3-5-17-10/h3-6H,2H2,1H3,(H,19,21)
InChIKeyDHZYSEKRNKMSRZ-UHFFFAOYSA-N
MW334.69 g/mol
LogP2.62
Rot. Bonds4

About 1-(3-chloro-2-pyridinyl)-N-ethoxy-3-(trifluoromethyl)pyrazole-4-carboxamide

1-(3-chloro-2-pyridinyl)-N-ethoxy-3-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 174831358) has the molecular formula C12H10ClF3N4O2 and a molecular weight of 334.69 g/mol. Its IUPAC name is 1-(3-chloro-2-pyridinyl)-N-ethoxy-3-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(3-chloro-2-pyridinyl)-N-ethoxy-3-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID174831358
Molecular FormulaC12H10ClF3N4O2
Molecular Weight334.69 g/mol
Exact Mass334.04
IUPAC Name1-(3-chloro-2-pyridinyl)-N-ethoxy-3-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCCONC(=O)c1cn(-c2ncccc2Cl)nc1C(F)(F)F
InChIInChI=1S/C12H10ClF3N4O2/c1-2-22-19-11(21)7-6-20(18-9(7)12(14,15)16)10-8(13)4-3-5-17-10/h3-6H,2H2,1H3,(H,19,21)
InChIKeyDHZYSEKRNKMSRZ-UHFFFAOYSA-N
XLogP2.62
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.69
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Gsk-2256098
CID 46214930
US10214509, Example 137
CID 122640612
N-(5-chloro-6-(2H-1,2,3-triazol-2-yl)pyridin-3-yl)-1-(2-oxo-1,2-dihydroquinolin-4-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 156601147
1H-Pyrazole-4-carboxamide, 5-cyano-N-methoxy-N-methyl-1-(2-pyridinyl)-
CID 163674
1-(3-chloropyridin-2-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid
CID 50990496
1-(3-chlorophenyl)-N-(5-methyl-2-pyridinyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 40026999
1-[5-(3,4-dichloro-2-oxo-1-pyridinyl)-2-pyridinyl]-N-ethyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 163256025
N-(5-chloro-6-(2H-1,2,3-triazol-2-yl)pyridin-3-yl)-1-(2-oxo-1,2-dihydroquinolin-5-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 156601128
5-chloro-3-methyl-1-(pyridin-2-yl)-1H-pyrazole-4-carbaldehyde
CID 12101926
5-Methyl-1-pyridin-2-yl-1H-pyrazole-4-carbaldehyde
CID 21097352
1-methyl-N-(4-methyl-2-pyridinyl)-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 1474578
1-(4-chlorophenyl)-N-pyridin-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 35035539

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-pyridinyl)-N-ethoxy-3-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-(3-chloro-2-pyridinyl)-N-ethoxy-3-(trifluoromethyl)pyrazole-4-carboxamide (CID 174831358) is 1-(3-chloro-2-pyridinyl)-N-ethoxy-3-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(3-chloro-2-pyridinyl)-N-ethoxy-3-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(3-chloro-2-pyridinyl)-N-ethoxy-3-(trifluoromethyl)pyrazole-4-carboxamide is CCONC(=O)c1cn(-c2ncccc2Cl)nc1C(F)(F)F.
What is the InChIKey of 1-(3-chloro-2-pyridinyl)-N-ethoxy-3-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is DHZYSEKRNKMSRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClF3N4O2/c1-2-22-19-11(21)7-6-20(18-9(7)12(14,15)16)10-8(13)4-3-5-17-10/h3-6H,2H2,1H3,(H,19,21).
What are the key properties of 1-(3-chloro-2-pyridinyl)-N-ethoxy-3-(trifluoromethyl)pyrazole-4-carboxamide?
1-(3-chloro-2-pyridinyl)-N-ethoxy-3-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 334.69 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-pyridinyl)-N-ethoxy-3-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 174831358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).