3-chloro-N,4-dimethylaniline;2-(7-chloro-3-methyl-2H-indazol-5-yl)-5-ethenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide

C25H27Cl2N7O — CID 144845671

About 3-chloro-N,4-dimethylaniline;2-(7-chloro-3-methyl-2H-indazol-5-yl)-5-ethenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide

3-chloro-N,4-dimethylaniline;2-(7-chloro-3-methyl-2H-indazol-5-yl)-5-ethenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide (PubChem CID 144845671) has the molecular formula C25H27Cl2N7O and a molecular weight of 512.45 g/mol. Its IUPAC name is 3-chloro-N,4-dimethylaniline;2-(7-chloro-3-methyl-2H-indazol-5-yl)-5-ethenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide.

Molecular Properties

• Compound Name: 3-chloro-N,4-dimethylaniline;2-(7-chloro-3-methyl-2H-indazol-5-yl)-5-ethenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide
• PubChem CID: 144845671
• Molecular Formula: C25H27Cl2N7O
• Molecular Weight: 512.45 g/mol
• Exact Mass: 511.17
• IUPAC Name: 3-chloro-N,4-dimethylaniline;2-(7-chloro-3-methyl-2H-indazol-5-yl)-5-ethenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide
• SMILES: C=CN1CCn2nc(-c3cc(Cl)c4n[nH]c(C)c4c3)c(C(N)=O)c2C1.CNc1ccc(C)c(Cl)c1
• InChI: InChI=1S/C17H17ClN6O.C8H10ClN/c1-3-23-4-5-24-13(8-23)14(17(19)25)15(22-24)10-6-11-9(2)20-21-16(11)12(18)7-10;1-6-3-4-7(10-2)5-8(6)9/h3,6-7H,1,4-5,8H2,2H3,(H2,19,25)(H,20,21);3-5,10H,1-2H3
• InChIKey: PSNAUHKKJZOTAV-UHFFFAOYSA-N
• XLogP: 5.14
• TPSA: 104.86 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	512.45
LogP ≤ 5	5.14
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N,4-dimethylaniline;2-(7-chloro-3-methyl-2H-indazol-5-yl)-5-ethenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide?

The IUPAC name of 3-chloro-N,4-dimethylaniline;2-(7-chloro-3-methyl-2H-indazol-5-yl)-5-ethenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide (CID 144845671) is 3-chloro-N,4-dimethylaniline;2-(7-chloro-3-methyl-2H-indazol-5-yl)-5-ethenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide.

What is the SMILES notation for 3-chloro-N,4-dimethylaniline;2-(7-chloro-3-methyl-2H-indazol-5-yl)-5-ethenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide?

The canonical SMILES for 3-chloro-N,4-dimethylaniline;2-(7-chloro-3-methyl-2H-indazol-5-yl)-5-ethenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide is C=CN1CCn2nc(-c3cc(Cl)c4n[nH]c(C)c4c3)c(C(N)=O)c2C1.CNc1ccc(C)c(Cl)c1.

What is the InChIKey of 3-chloro-N,4-dimethylaniline;2-(7-chloro-3-methyl-2H-indazol-5-yl)-5-ethenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide?

The InChIKey is PSNAUHKKJZOTAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN6O.C8H10ClN/c1-3-23-4-5-24-13(8-23)14(17(19)25)15(22-24)10-6-11-9(2)20-21-16(11)12(18)7-10;1-6-3-4-7(10-2)5-8(6)9/h3,6-7H,1,4-5,8H2,2H3,(H2,19,25)(H,20,21);3-5,10H,1-2H3.

What are the key properties of 3-chloro-N,4-dimethylaniline;2-(7-chloro-3-methyl-2H-indazol-5-yl)-5-ethenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide?

3-chloro-N,4-dimethylaniline;2-(7-chloro-3-methyl-2H-indazol-5-yl)-5-ethenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide has a molecular weight of 512.45 g/mol, XLogP of 5.14, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloro-N,4-dimethylaniline;2-(7-chloro-3-methyl-2H-indazol-5-yl)-5-ethenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide is sourced from PubChem (CID 144845671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).