N-(4-chlorophenyl)-3-(2,4-dimethyl-1,3-thiazol-5-yl)pyrazole-1-carboxamide

C15H13ClN4OS — CID 2805448

IUPACN-(4-chlorophenyl)-3-(2,4-dimethyl-1,3-thiazol-5-yl)pyrazole-1-carboxamide
SMILESCc1nc(C)c(-c2ccn(C(=O)Nc3ccc(Cl)cc3)n2)s1
InChIInChI=1S/C15H13ClN4OS/c1-9-14(22-10(2)17-9)13-7-8-20(19-13)15(21)18-12-5-3-11(16)4-6-12/h3-8H,1-2H3,(H,18,21)
InChIKeyDDZPTERMVKWWOS-UHFFFAOYSA-N
MW332.82 g/mol
LogP4.36
Rot. Bonds2

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

N-(4-chlorophenyl)-3-(2,4-dimethyl-1,3-thiazol-5-yl)pyrazole-1-carboxamide (PubChem CID 2805448) has the molecular formula C15H13ClN4OS and a molecular weight of 332.82 g/mol. Its IUPAC name is N-(4-chlorophenyl)-3-(2,4-dimethyl-1,3-thiazol-5-yl)pyrazole-1-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-3-(2,4-dimethyl-1,3-thiazol-5-yl)pyrazole-1-carboxamide
PubChem CID2805448
Molecular FormulaC15H13ClN4OS
Molecular Weight332.82 g/mol
Exact Mass332.05
IUPAC NameN-(4-chlorophenyl)-3-(2,4-dimethyl-1,3-thiazol-5-yl)pyrazole-1-carboxamide
SMILESCc1nc(C)c(-c2ccn(C(=O)Nc3ccc(Cl)cc3)n2)s1
InChIInChI=1S/C15H13ClN4OS/c1-9-14(22-10(2)17-9)13-7-8-20(19-13)15(21)18-12-5-3-11(16)4-6-12/h3-8H,1-2H3,(H,18,21)
InChIKeyDDZPTERMVKWWOS-UHFFFAOYSA-N
XLogP4.36
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.82
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-3-(2,4-dimethyl-1,3-thiazol-5-yl)pyrazole-1-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-3-(2,4-dimethyl-1,3-thiazol-5-yl)pyrazole-1-carboxamide (CID 2805448) is N-(4-chlorophenyl)-3-(2,4-dimethyl-1,3-thiazol-5-yl)pyrazole-1-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-3-(2,4-dimethyl-1,3-thiazol-5-yl)pyrazole-1-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-3-(2,4-dimethyl-1,3-thiazol-5-yl)pyrazole-1-carboxamide is Cc1nc(C)c(-c2ccn(C(=O)Nc3ccc(Cl)cc3)n2)s1.
What is the InChIKey of N-(4-chlorophenyl)-3-(2,4-dimethyl-1,3-thiazol-5-yl)pyrazole-1-carboxamide?
The InChIKey is DDZPTERMVKWWOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4OS/c1-9-14(22-10(2)17-9)13-7-8-20(19-13)15(21)18-12-5-3-11(16)4-6-12/h3-8H,1-2H3,(H,18,21).
What are the key properties of N-(4-chlorophenyl)-3-(2,4-dimethyl-1,3-thiazol-5-yl)pyrazole-1-carboxamide?
N-(4-chlorophenyl)-3-(2,4-dimethyl-1,3-thiazol-5-yl)pyrazole-1-carboxamide has a molecular weight of 332.82 g/mol, XLogP of 4.36, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-3-(2,4-dimethyl-1,3-thiazol-5-yl)pyrazole-1-carboxamide is sourced from PubChem (CID 2805448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).