1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-[(1,3-dimethylpyrazol-4-yl)methyl]pyrazole-3-carboxamide

C19H22ClN5O2 — CID 19581523

About 1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-[(1,3-dimethylpyrazol-4-yl)methyl]pyrazole-3-carboxamide

1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-[(1,3-dimethylpyrazol-4-yl)methyl]pyrazole-3-carboxamide (PubChem CID 19581523) has the molecular formula C19H22ClN5O2 and a molecular weight of 387.87 g/mol. Its IUPAC name is 1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-[(1,3-dimethylpyrazol-4-yl)methyl]pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: 1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-[(1,3-dimethylpyrazol-4-yl)methyl]pyrazole-3-carboxamide
• PubChem CID: 19581523
• Molecular Formula: C19H22ClN5O2
• Molecular Weight: 387.87 g/mol
• Exact Mass: 387.15
• IUPAC Name: 1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-[(1,3-dimethylpyrazol-4-yl)methyl]pyrazole-3-carboxamide
• SMILES: Cc1cc(OCn2ccc(C(=O)NCc3cn(C)nc3C)n2)cc(C)c1Cl
• InChI: InChI=1S/C19H22ClN5O2/c1-12-7-16(8-13(2)18(12)20)27-11-25-6-5-17(23-25)19(26)21-9-15-10-24(4)22-14(15)3/h5-8,10H,9,11H2,1-4H3,(H,21,26)
• InChIKey: AFZIUCTUAHXMHG-UHFFFAOYSA-N
• XLogP: 3.16
• TPSA: 73.97 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	387.87
LogP ≤ 5	3.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-[(1,3-dimethylpyrazol-4-yl)methyl]pyrazole-3-carboxamide (CID 19581523) is 1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-[(1,3-dimethylpyrazol-4-yl)methyl]pyrazole-3-carboxamide.

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

The canonical SMILES for 1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-[(1,3-dimethylpyrazol-4-yl)methyl]pyrazole-3-carboxamide is Cc1cc(OCn2ccc(C(=O)NCc3cn(C)nc3C)n2)cc(C)c1Cl.

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

The InChIKey is AFZIUCTUAHXMHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN5O2/c1-12-7-16(8-13(2)18(12)20)27-11-25-6-5-17(23-25)19(26)21-9-15-10-24(4)22-14(15)3/h5-8,10H,9,11H2,1-4H3,(H,21,26).

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

1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-[(1,3-dimethylpyrazol-4-yl)methyl]pyrazole-3-carboxamide has a molecular weight of 387.87 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-[(1,3-dimethylpyrazol-4-yl)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 19581523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).