4-chloro-1-(3-chloro-2-pyridinyl)-N-[2,4-dichloro-6-(methylcarbamoyl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide

C18H10Cl4F3N5O2 — CID 135011436

IUPAC4-chloro-1-(3-chloro-2-pyridinyl)-N-[2,4-dichloro-6-(methylcarbamoyl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCNC(=O)c1cc(Cl)cc(Cl)c1NC(=O)c1c(Cl)c(C(F)(F)F)nn1-c1ncccc1Cl
InChIInChI=1S/C18H10Cl4F3N5O2/c1-26-16(31)8-5-7(19)6-10(21)12(8)28-17(32)13-11(22)14(18(23,24)25)29-30(13)15-9(20)3-2-4-27-15/h2-6H,1H3,(H,26,31)(H,28,32)
InChIKeyUNGRHRIVSLFHGA-UHFFFAOYSA-N
MW527.12 g/mol
LogP5.51
Rot. Bonds4

About 4-chloro-1-(3-chloro-2-pyridinyl)-N-[2,4-dichloro-6-(methylcarbamoyl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide

4-chloro-1-(3-chloro-2-pyridinyl)-N-[2,4-dichloro-6-(methylcarbamoyl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 135011436) has the molecular formula C18H10Cl4F3N5O2 and a molecular weight of 527.12 g/mol. Its IUPAC name is 4-chloro-1-(3-chloro-2-pyridinyl)-N-[2,4-dichloro-6-(methylcarbamoyl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-1-(3-chloro-2-pyridinyl)-N-[2,4-dichloro-6-(methylcarbamoyl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID135011436
Molecular FormulaC18H10Cl4F3N5O2
Molecular Weight527.12 g/mol
Exact Mass524.95
IUPAC Name4-chloro-1-(3-chloro-2-pyridinyl)-N-[2,4-dichloro-6-(methylcarbamoyl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCNC(=O)c1cc(Cl)cc(Cl)c1NC(=O)c1c(Cl)c(C(F)(F)F)nn1-c1ncccc1Cl
InChIInChI=1S/C18H10Cl4F3N5O2/c1-26-16(31)8-5-7(19)6-10(21)12(8)28-17(32)13-11(22)14(18(23,24)25)29-30(13)15-9(20)3-2-4-27-15/h2-6H,1H3,(H,26,31)(H,28,32)
InChIKeyUNGRHRIVSLFHGA-UHFFFAOYSA-N
XLogP5.51
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.12
LogP ≤ 55.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(3-chloro-2-pyridinyl)-N-[2,4-dichloro-6-(methylcarbamoyl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of 4-chloro-1-(3-chloro-2-pyridinyl)-N-[2,4-dichloro-6-(methylcarbamoyl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 135011436) is 4-chloro-1-(3-chloro-2-pyridinyl)-N-[2,4-dichloro-6-(methylcarbamoyl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-1-(3-chloro-2-pyridinyl)-N-[2,4-dichloro-6-(methylcarbamoyl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-1-(3-chloro-2-pyridinyl)-N-[2,4-dichloro-6-(methylcarbamoyl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide is CNC(=O)c1cc(Cl)cc(Cl)c1NC(=O)c1c(Cl)c(C(F)(F)F)nn1-c1ncccc1Cl.
What is the InChIKey of 4-chloro-1-(3-chloro-2-pyridinyl)-N-[2,4-dichloro-6-(methylcarbamoyl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is UNGRHRIVSLFHGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10Cl4F3N5O2/c1-26-16(31)8-5-7(19)6-10(21)12(8)28-17(32)13-11(22)14(18(23,24)25)29-30(13)15-9(20)3-2-4-27-15/h2-6H,1H3,(H,26,31)(H,28,32).
What are the key properties of 4-chloro-1-(3-chloro-2-pyridinyl)-N-[2,4-dichloro-6-(methylcarbamoyl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
4-chloro-1-(3-chloro-2-pyridinyl)-N-[2,4-dichloro-6-(methylcarbamoyl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 527.12 g/mol, XLogP of 5.51, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(3-chloro-2-pyridinyl)-N-[2,4-dichloro-6-(methylcarbamoyl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 135011436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).