N-[4-chloro-2-methyl-6-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]phenyl]-1-(3-chloro-2-pyridinyl)-3-(methylsulfanylmethyl)pyrazole-5-carboxamide

C23H20Cl2N6O2S2 — CID 139231736

About N-[4-chloro-2-methyl-6-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]phenyl]-1-(3-chloro-2-pyridinyl)-3-(methylsulfanylmethyl)pyrazole-5-carboxamide

N-[4-chloro-2-methyl-6-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]phenyl]-1-(3-chloro-2-pyridinyl)-3-(methylsulfanylmethyl)pyrazole-5-carboxamide (PubChem CID 139231736) has the molecular formula C23H20Cl2N6O2S2 and a molecular weight of 547.49 g/mol. Its IUPAC name is N-[4-chloro-2-methyl-6-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]phenyl]-1-(3-chloro-2-pyridinyl)-3-(methylsulfanylmethyl)pyrazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[4-chloro-2-methyl-6-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]phenyl]-1-(3-chloro-2-pyridinyl)-3-(methylsulfanylmethyl)pyrazole-5-carboxamide
• PubChem CID: 139231736
• Molecular Formula: C23H20Cl2N6O2S2
• Molecular Weight: 547.49 g/mol
• Exact Mass: 546.05
• IUPAC Name: N-[4-chloro-2-methyl-6-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]phenyl]-1-(3-chloro-2-pyridinyl)-3-(methylsulfanylmethyl)pyrazole-5-carboxamide
• SMILES: CSCc1cc(C(=O)Nc2c(C)cc(Cl)cc2C(=O)Nc2ncc(C)s2)n(-c2ncccc2Cl)n1
• InChI: InChI=1S/C23H20Cl2N6O2S2/c1-12-7-14(24)8-16(21(32)29-23-27-10-13(2)35-23)19(12)28-22(33)18-9-15(11-34-3)30-31(18)20-17(25)5-4-6-26-20/h4-10H,11H2,1-3H3,(H,28,33)(H,27,29,32)
• InChIKey: HBBGAZNRIXMERG-UHFFFAOYSA-N
• XLogP: 6.02
• TPSA: 101.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	547.49
LogP ≤ 5	6.02
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-methyl-6-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]phenyl]-1-(3-chloro-2-pyridinyl)-3-(methylsulfanylmethyl)pyrazole-5-carboxamide?

The IUPAC name of N-[4-chloro-2-methyl-6-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]phenyl]-1-(3-chloro-2-pyridinyl)-3-(methylsulfanylmethyl)pyrazole-5-carboxamide (CID 139231736) is N-[4-chloro-2-methyl-6-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]phenyl]-1-(3-chloro-2-pyridinyl)-3-(methylsulfanylmethyl)pyrazole-5-carboxamide.

What is the SMILES notation for N-[4-chloro-2-methyl-6-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]phenyl]-1-(3-chloro-2-pyridinyl)-3-(methylsulfanylmethyl)pyrazole-5-carboxamide?

The canonical SMILES for N-[4-chloro-2-methyl-6-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]phenyl]-1-(3-chloro-2-pyridinyl)-3-(methylsulfanylmethyl)pyrazole-5-carboxamide is CSCc1cc(C(=O)Nc2c(C)cc(Cl)cc2C(=O)Nc2ncc(C)s2)n(-c2ncccc2Cl)n1.

What is the InChIKey of N-[4-chloro-2-methyl-6-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]phenyl]-1-(3-chloro-2-pyridinyl)-3-(methylsulfanylmethyl)pyrazole-5-carboxamide?

The InChIKey is HBBGAZNRIXMERG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20Cl2N6O2S2/c1-12-7-14(24)8-16(21(32)29-23-27-10-13(2)35-23)19(12)28-22(33)18-9-15(11-34-3)30-31(18)20-17(25)5-4-6-26-20/h4-10H,11H2,1-3H3,(H,28,33)(H,27,29,32).

What are the key properties of N-[4-chloro-2-methyl-6-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]phenyl]-1-(3-chloro-2-pyridinyl)-3-(methylsulfanylmethyl)pyrazole-5-carboxamide?

N-[4-chloro-2-methyl-6-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]phenyl]-1-(3-chloro-2-pyridinyl)-3-(methylsulfanylmethyl)pyrazole-5-carboxamide has a molecular weight of 547.49 g/mol, XLogP of 6.02, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-chloro-2-methyl-6-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]phenyl]-1-(3-chloro-2-pyridinyl)-3-(methylsulfanylmethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 139231736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).