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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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).