1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-[4-(piperidin-1-ylmethyl)phenyl]pyrazole-3-carboxamide

C25H29ClN4O2 — CID 19275344

About 1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-[4-(piperidin-1-ylmethyl)phenyl]pyrazole-3-carboxamide

1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-[4-(piperidin-1-ylmethyl)phenyl]pyrazole-3-carboxamide (PubChem CID 19275344) has the molecular formula C25H29ClN4O2 and a molecular weight of 452.99 g/mol. Its IUPAC name is 1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-[4-(piperidin-1-ylmethyl)phenyl]pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: 1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-[4-(piperidin-1-ylmethyl)phenyl]pyrazole-3-carboxamide
• PubChem CID: 19275344
• Molecular Formula: C25H29ClN4O2
• Molecular Weight: 452.99 g/mol
• Exact Mass: 452.20
• IUPAC Name: 1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-[4-(piperidin-1-ylmethyl)phenyl]pyrazole-3-carboxamide
• SMILES: Cc1cc(OCn2ccc(C(=O)Nc3ccc(CN4CCCCC4)cc3)n2)cc(C)c1Cl
• InChI: InChI=1S/C25H29ClN4O2/c1-18-14-22(15-19(2)24(18)26)32-17-30-13-10-23(28-30)25(31)27-21-8-6-20(7-9-21)16-29-11-4-3-5-12-29/h6-10,13-15H,3-5,11-12,16-17H2,1-2H3,(H,27,31)
• InChIKey: WGTGIIGBISNHEY-UHFFFAOYSA-N
• XLogP: 5.43
• TPSA: 59.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	452.99
LogP ≤ 5	5.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-[4-(piperidin-1-ylmethyl)phenyl]pyrazole-3-carboxamide (CID 19275344) is 1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-[4-(piperidin-1-ylmethyl)phenyl]pyrazole-3-carboxamide.

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

The canonical SMILES for 1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-[4-(piperidin-1-ylmethyl)phenyl]pyrazole-3-carboxamide is Cc1cc(OCn2ccc(C(=O)Nc3ccc(CN4CCCCC4)cc3)n2)cc(C)c1Cl.

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

The InChIKey is WGTGIIGBISNHEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29ClN4O2/c1-18-14-22(15-19(2)24(18)26)32-17-30-13-10-23(28-30)25(31)27-21-8-6-20(7-9-21)16-29-11-4-3-5-12-29/h6-10,13-15H,3-5,11-12,16-17H2,1-2H3,(H,27,31).

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

1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-[4-(piperidin-1-ylmethyl)phenyl]pyrazole-3-carboxamide has a molecular weight of 452.99 g/mol, XLogP of 5.43, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-[4-(piperidin-1-ylmethyl)phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 19275344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).