5-(2,3-dichlorophenoxy)-1,3-dimethyl-N-propan-2-yl-N-(1,3-thiazol-5-ylmethyl)pyrazole-4-carboxamide

C19H20Cl2N4O2S — CID 71561755

IUPAC5-(2,3-dichlorophenoxy)-1,3-dimethyl-N-propan-2-yl-N-(1,3-thiazol-5-ylmethyl)pyrazole-4-carboxamide
SMILESCc1nn(C)c(Oc2cccc(Cl)c2Cl)c1C(=O)N(Cc1cncs1)C(C)C
InChIInChI=1S/C19H20Cl2N4O2S/c1-11(2)25(9-13-8-22-10-28-13)18(26)16-12(3)23-24(4)19(16)27-15-7-5-6-14(20)17(15)21/h5-8,10-11H,9H2,1-4H3
InChIKeyYLRYILRDWQYCMM-UHFFFAOYSA-N
MW439.37 g/mol
LogP5.33
Rot. Bonds6

About 5-(2,3-dichlorophenoxy)-1,3-dimethyl-N-propan-2-yl-N-(1,3-thiazol-5-ylmethyl)pyrazole-4-carboxamide

5-(2,3-dichlorophenoxy)-1,3-dimethyl-N-propan-2-yl-N-(1,3-thiazol-5-ylmethyl)pyrazole-4-carboxamide (PubChem CID 71561755) has the molecular formula C19H20Cl2N4O2S and a molecular weight of 439.37 g/mol. Its IUPAC name is 5-(2,3-dichlorophenoxy)-1,3-dimethyl-N-propan-2-yl-N-(1,3-thiazol-5-ylmethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(2,3-dichlorophenoxy)-1,3-dimethyl-N-propan-2-yl-N-(1,3-thiazol-5-ylmethyl)pyrazole-4-carboxamide
PubChem CID71561755
Molecular FormulaC19H20Cl2N4O2S
Molecular Weight439.37 g/mol
Exact Mass438.07
IUPAC Name5-(2,3-dichlorophenoxy)-1,3-dimethyl-N-propan-2-yl-N-(1,3-thiazol-5-ylmethyl)pyrazole-4-carboxamide
SMILESCc1nn(C)c(Oc2cccc(Cl)c2Cl)c1C(=O)N(Cc1cncs1)C(C)C
InChIInChI=1S/C19H20Cl2N4O2S/c1-11(2)25(9-13-8-22-10-28-13)18(26)16-12(3)23-24(4)19(16)27-15-7-5-6-14(20)17(15)21/h5-8,10-11H,9H2,1-4H3
InChIKeyYLRYILRDWQYCMM-UHFFFAOYSA-N
XLogP5.33
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.37
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-(2,3-dichlorophenoxy)-1,3-dimethyl-N-propan-2-yl-N-(1,3-thiazol-5-ylmethyl)pyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dichlorophenoxy)-1,3-dimethyl-N-propan-2-yl-N-(1,3-thiazol-5-ylmethyl)pyrazole-4-carboxamide?
The IUPAC name of 5-(2,3-dichlorophenoxy)-1,3-dimethyl-N-propan-2-yl-N-(1,3-thiazol-5-ylmethyl)pyrazole-4-carboxamide (CID 71561755) is 5-(2,3-dichlorophenoxy)-1,3-dimethyl-N-propan-2-yl-N-(1,3-thiazol-5-ylmethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-(2,3-dichlorophenoxy)-1,3-dimethyl-N-propan-2-yl-N-(1,3-thiazol-5-ylmethyl)pyrazole-4-carboxamide?
The canonical SMILES for 5-(2,3-dichlorophenoxy)-1,3-dimethyl-N-propan-2-yl-N-(1,3-thiazol-5-ylmethyl)pyrazole-4-carboxamide is Cc1nn(C)c(Oc2cccc(Cl)c2Cl)c1C(=O)N(Cc1cncs1)C(C)C.
What is the InChIKey of 5-(2,3-dichlorophenoxy)-1,3-dimethyl-N-propan-2-yl-N-(1,3-thiazol-5-ylmethyl)pyrazole-4-carboxamide?
The InChIKey is YLRYILRDWQYCMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N4O2S/c1-11(2)25(9-13-8-22-10-28-13)18(26)16-12(3)23-24(4)19(16)27-15-7-5-6-14(20)17(15)21/h5-8,10-11H,9H2,1-4H3.
What are the key properties of 5-(2,3-dichlorophenoxy)-1,3-dimethyl-N-propan-2-yl-N-(1,3-thiazol-5-ylmethyl)pyrazole-4-carboxamide?
5-(2,3-dichlorophenoxy)-1,3-dimethyl-N-propan-2-yl-N-(1,3-thiazol-5-ylmethyl)pyrazole-4-carboxamide has a molecular weight of 439.37 g/mol, XLogP of 5.33, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dichlorophenoxy)-1,3-dimethyl-N-propan-2-yl-N-(1,3-thiazol-5-ylmethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 71561755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).