N-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-1-(3-chloro-2-pyridinyl)-3-[(4-propan-2-yltriazol-2-yl)methyl]pyrazole-5-carboxamide

C24H24Cl2N8O2 — CID 58507291

About N-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-1-(3-chloro-2-pyridinyl)-3-[(4-propan-2-yltriazol-2-yl)methyl]pyrazole-5-carboxamide

N-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-1-(3-chloro-2-pyridinyl)-3-[(4-propan-2-yltriazol-2-yl)methyl]pyrazole-5-carboxamide (PubChem CID 58507291) has the molecular formula C24H24Cl2N8O2 and a molecular weight of 527.42 g/mol. Its IUPAC name is N-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-1-(3-chloro-2-pyridinyl)-3-[(4-propan-2-yltriazol-2-yl)methyl]pyrazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-1-(3-chloro-2-pyridinyl)-3-[(4-propan-2-yltriazol-2-yl)methyl]pyrazole-5-carboxamide
• PubChem CID: 58507291
• Molecular Formula: C24H24Cl2N8O2
• Molecular Weight: 527.42 g/mol
• Exact Mass: 526.14
• IUPAC Name: N-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-1-(3-chloro-2-pyridinyl)-3-[(4-propan-2-yltriazol-2-yl)methyl]pyrazole-5-carboxamide
• SMILES: CNC(=O)c1cc(Cl)cc(C)c1NC(=O)c1cc(Cn2ncc(C(C)C)n2)nn1-c1ncccc1Cl
• InChI: InChI=1S/C24H24Cl2N8O2/c1-13(2)19-11-29-33(32-19)12-16-10-20(34(31-16)22-18(26)6-5-7-28-22)24(36)30-21-14(3)8-15(25)9-17(21)23(35)27-4/h5-11,13H,12H2,1-4H3,(H,27,35)(H,30,36)
• InChIKey: ZTTFJZWOZRRIKX-UHFFFAOYSA-N
• XLogP: 4.26
• TPSA: 119.62 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	527.42
LogP ≤ 5	4.26
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-(methylcarbamoyl)phenyl]-1-(3-chloro-2-pyridinyl)-3-[(4-propan-2-yltriazol-2-yl)methyl]pyrazole-5-carboxamide?

The IUPAC name of N-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-1-(3-chloro-2-pyridinyl)-3-[(4-propan-2-yltriazol-2-yl)methyl]pyrazole-5-carboxamide (CID 58507291) is N-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-1-(3-chloro-2-pyridinyl)-3-[(4-propan-2-yltriazol-2-yl)methyl]pyrazole-5-carboxamide.

What is the SMILES notation for N-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-1-(3-chloro-2-pyridinyl)-3-[(4-propan-2-yltriazol-2-yl)methyl]pyrazole-5-carboxamide?

The canonical SMILES for N-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-1-(3-chloro-2-pyridinyl)-3-[(4-propan-2-yltriazol-2-yl)methyl]pyrazole-5-carboxamide is CNC(=O)c1cc(Cl)cc(C)c1NC(=O)c1cc(Cn2ncc(C(C)C)n2)nn1-c1ncccc1Cl.

What is the InChIKey of N-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-1-(3-chloro-2-pyridinyl)-3-[(4-propan-2-yltriazol-2-yl)methyl]pyrazole-5-carboxamide?

The InChIKey is ZTTFJZWOZRRIKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24Cl2N8O2/c1-13(2)19-11-29-33(32-19)12-16-10-20(34(31-16)22-18(26)6-5-7-28-22)24(36)30-21-14(3)8-15(25)9-17(21)23(35)27-4/h5-11,13H,12H2,1-4H3,(H,27,35)(H,30,36).

What are the key properties of N-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-1-(3-chloro-2-pyridinyl)-3-[(4-propan-2-yltriazol-2-yl)methyl]pyrazole-5-carboxamide?

N-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-1-(3-chloro-2-pyridinyl)-3-[(4-propan-2-yltriazol-2-yl)methyl]pyrazole-5-carboxamide has a molecular weight of 527.42 g/mol, XLogP of 4.26, 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-(methylcarbamoyl)phenyl]-1-(3-chloro-2-pyridinyl)-3-[(4-propan-2-yltriazol-2-yl)methyl]pyrazole-5-carboxamide is sourced from PubChem (CID 58507291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).