5-chloro-N,3-dimethyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1-phenylpyrazole-4-carboxamide

C22H19ClN4OS — CID 3205843

IUPAC5-chloro-N,3-dimethyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1-phenylpyrazole-4-carboxamide
SMILESCc1ccc(-c2csc(N(C)C(=O)c3c(C)nn(-c4ccccc4)c3Cl)n2)cc1
InChIInChI=1S/C22H19ClN4OS/c1-14-9-11-16(12-10-14)18-13-29-22(24-18)26(3)21(28)19-15(2)25-27(20(19)23)17-7-5-4-6-8-17/h4-13H,1-3H3
InChIKeyCZUDXGGFKRAIAF-UHFFFAOYSA-N
MW422.94 g/mol
LogP5.54
Rot. Bonds4

About 5-chloro-N,3-dimethyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1-phenylpyrazole-4-carboxamide

5-chloro-N,3-dimethyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1-phenylpyrazole-4-carboxamide (PubChem CID 3205843) has the molecular formula C22H19ClN4OS and a molecular weight of 422.94 g/mol. Its IUPAC name is 5-chloro-N,3-dimethyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N,3-dimethyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1-phenylpyrazole-4-carboxamide
PubChem CID3205843
Molecular FormulaC22H19ClN4OS
Molecular Weight422.94 g/mol
Exact Mass422.10
IUPAC Name5-chloro-N,3-dimethyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1-phenylpyrazole-4-carboxamide
SMILESCc1ccc(-c2csc(N(C)C(=O)c3c(C)nn(-c4ccccc4)c3Cl)n2)cc1
InChIInChI=1S/C22H19ClN4OS/c1-14-9-11-16(12-10-14)18-13-29-22(24-18)26(3)21(28)19-15(2)25-27(20(19)23)17-7-5-4-6-8-17/h4-13H,1-3H3
InChIKeyCZUDXGGFKRAIAF-UHFFFAOYSA-N
XLogP5.54
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.94
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N,3-dimethyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 5-chloro-N,3-dimethyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1-phenylpyrazole-4-carboxamide (CID 3205843) is 5-chloro-N,3-dimethyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 5-chloro-N,3-dimethyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 5-chloro-N,3-dimethyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1-phenylpyrazole-4-carboxamide is Cc1ccc(-c2csc(N(C)C(=O)c3c(C)nn(-c4ccccc4)c3Cl)n2)cc1.
What is the InChIKey of 5-chloro-N,3-dimethyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1-phenylpyrazole-4-carboxamide?
The InChIKey is CZUDXGGFKRAIAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN4OS/c1-14-9-11-16(12-10-14)18-13-29-22(24-18)26(3)21(28)19-15(2)25-27(20(19)23)17-7-5-4-6-8-17/h4-13H,1-3H3.
What are the key properties of 5-chloro-N,3-dimethyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1-phenylpyrazole-4-carboxamide?
5-chloro-N,3-dimethyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1-phenylpyrazole-4-carboxamide has a molecular weight of 422.94 g/mol, XLogP of 5.54, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N,3-dimethyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 3205843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).