5-(2,3-dichlorophenoxy)-N-ethyl-1,3-dimethyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide

C20H20Cl2N4O2 — CID 71561753

IUPAC5-(2,3-dichlorophenoxy)-N-ethyl-1,3-dimethyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
SMILESCCN(Cc1cccnc1)C(=O)c1c(C)nn(C)c1Oc1cccc(Cl)c1Cl
InChIInChI=1S/C20H20Cl2N4O2/c1-4-26(12-14-7-6-10-23-11-14)19(27)17-13(2)24-25(3)20(17)28-16-9-5-8-15(21)18(16)22/h5-11H,4,12H2,1-3H3
InChIKeyUWMUPHRMONIRRW-UHFFFAOYSA-N
MW419.31 g/mol
LogP4.88
Rot. Bonds6

About 5-(2,3-dichlorophenoxy)-N-ethyl-1,3-dimethyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide

5-(2,3-dichlorophenoxy)-N-ethyl-1,3-dimethyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide (PubChem CID 71561753) has the molecular formula C20H20Cl2N4O2 and a molecular weight of 419.31 g/mol. Its IUPAC name is 5-(2,3-dichlorophenoxy)-N-ethyl-1,3-dimethyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(2,3-dichlorophenoxy)-N-ethyl-1,3-dimethyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
PubChem CID71561753
Molecular FormulaC20H20Cl2N4O2
Molecular Weight419.31 g/mol
Exact Mass418.10
IUPAC Name5-(2,3-dichlorophenoxy)-N-ethyl-1,3-dimethyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
SMILESCCN(Cc1cccnc1)C(=O)c1c(C)nn(C)c1Oc1cccc(Cl)c1Cl
InChIInChI=1S/C20H20Cl2N4O2/c1-4-26(12-14-7-6-10-23-11-14)19(27)17-13(2)24-25(3)20(17)28-16-9-5-8-15(21)18(16)22/h5-11H,4,12H2,1-3H3
InChIKeyUWMUPHRMONIRRW-UHFFFAOYSA-N
XLogP4.88
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.31
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dichlorophenoxy)-N-ethyl-1,3-dimethyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide?
The IUPAC name of 5-(2,3-dichlorophenoxy)-N-ethyl-1,3-dimethyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide (CID 71561753) is 5-(2,3-dichlorophenoxy)-N-ethyl-1,3-dimethyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-(2,3-dichlorophenoxy)-N-ethyl-1,3-dimethyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide?
The canonical SMILES for 5-(2,3-dichlorophenoxy)-N-ethyl-1,3-dimethyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide is CCN(Cc1cccnc1)C(=O)c1c(C)nn(C)c1Oc1cccc(Cl)c1Cl.
What is the InChIKey of 5-(2,3-dichlorophenoxy)-N-ethyl-1,3-dimethyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide?
The InChIKey is UWMUPHRMONIRRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2N4O2/c1-4-26(12-14-7-6-10-23-11-14)19(27)17-13(2)24-25(3)20(17)28-16-9-5-8-15(21)18(16)22/h5-11H,4,12H2,1-3H3.
What are the key properties of 5-(2,3-dichlorophenoxy)-N-ethyl-1,3-dimethyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide?
5-(2,3-dichlorophenoxy)-N-ethyl-1,3-dimethyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide has a molecular weight of 419.31 g/mol, XLogP of 4.88, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dichlorophenoxy)-N-ethyl-1,3-dimethyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 71561753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).