N-[1-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1-[(5-phenyltetrazol-2-yl)methyl]pyrazole-3-carboxamide

C24H22ClN9O — CID 19268923

About N-[1-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1-[(5-phenyltetrazol-2-yl)methyl]pyrazole-3-carboxamide

N-[1-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1-[(5-phenyltetrazol-2-yl)methyl]pyrazole-3-carboxamide (PubChem CID 19268923) has the molecular formula C24H22ClN9O and a molecular weight of 487.96 g/mol. Its IUPAC name is N-[1-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1-[(5-phenyltetrazol-2-yl)methyl]pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[1-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1-[(5-phenyltetrazol-2-yl)methyl]pyrazole-3-carboxamide
• PubChem CID: 19268923
• Molecular Formula: C24H22ClN9O
• Molecular Weight: 487.96 g/mol
• Exact Mass: 487.16
• IUPAC Name: N-[1-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1-[(5-phenyltetrazol-2-yl)methyl]pyrazole-3-carboxamide
• SMILES: Cc1nn(Cc2ccc(Cl)cc2)c(C)c1NC(=O)c1ccn(Cn2nnc(-c3ccccc3)n2)n1
• InChI: InChI=1S/C24H22ClN9O/c1-16-22(17(2)33(28-16)14-18-8-10-20(25)11-9-18)26-24(35)21-12-13-32(29-21)15-34-30-23(27-31-34)19-6-4-3-5-7-19/h3-13H,14-15H2,1-2H3,(H,26,35)
• InChIKey: YSTSBQTUDIDYBT-UHFFFAOYSA-N
• XLogP: 3.81
• TPSA: 108.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	487.96
LogP ≤ 5	3.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1-[(5-phenyltetrazol-2-yl)methyl]pyrazole-3-carboxamide?

The IUPAC name of N-[1-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1-[(5-phenyltetrazol-2-yl)methyl]pyrazole-3-carboxamide (CID 19268923) is N-[1-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1-[(5-phenyltetrazol-2-yl)methyl]pyrazole-3-carboxamide.

What is the SMILES notation for N-[1-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1-[(5-phenyltetrazol-2-yl)methyl]pyrazole-3-carboxamide?

The canonical SMILES for N-[1-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1-[(5-phenyltetrazol-2-yl)methyl]pyrazole-3-carboxamide is Cc1nn(Cc2ccc(Cl)cc2)c(C)c1NC(=O)c1ccn(Cn2nnc(-c3ccccc3)n2)n1.

What is the InChIKey of N-[1-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1-[(5-phenyltetrazol-2-yl)methyl]pyrazole-3-carboxamide?

The InChIKey is YSTSBQTUDIDYBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN9O/c1-16-22(17(2)33(28-16)14-18-8-10-20(25)11-9-18)26-24(35)21-12-13-32(29-21)15-34-30-23(27-31-34)19-6-4-3-5-7-19/h3-13H,14-15H2,1-2H3,(H,26,35).

What are the key properties of N-[1-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1-[(5-phenyltetrazol-2-yl)methyl]pyrazole-3-carboxamide?

N-[1-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1-[(5-phenyltetrazol-2-yl)methyl]pyrazole-3-carboxamide has a molecular weight of 487.96 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1-[(5-phenyltetrazol-2-yl)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 19268923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).