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

C24H22ClN7O — CID 19272041

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

1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]pyrazole-3-carboxamide (PubChem CID 19272041) has the molecular formula C24H22ClN7O and a molecular weight of 459.94 g/mol. Its IUPAC name is 1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: 1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]pyrazole-3-carboxamide
• PubChem CID: 19272041
• Molecular Formula: C24H22ClN7O
• Molecular Weight: 459.94 g/mol
• Exact Mass: 459.16
• IUPAC Name: 1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]pyrazole-3-carboxamide
• SMILES: Cc1nn(Cn2ccc(C(=O)Nc3cnn(Cc4cccc5ccccc45)c3)n2)c(C)c1Cl
• InChI: InChI=1S/C24H22ClN7O/c1-16-23(25)17(2)32(28-16)15-30-11-10-22(29-30)24(33)27-20-12-26-31(14-20)13-19-8-5-7-18-6-3-4-9-21(18)19/h3-12,14H,13,15H2,1-2H3,(H,27,33)
• InChIKey: KQVUCWSJTJYUPR-UHFFFAOYSA-N
• XLogP: 4.51
• TPSA: 82.56 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	459.94
LogP ≤ 5	4.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]pyrazole-3-carboxamide (CID 19272041) is 1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]pyrazole-3-carboxamide.

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

The canonical SMILES for 1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]pyrazole-3-carboxamide is Cc1nn(Cn2ccc(C(=O)Nc3cnn(Cc4cccc5ccccc45)c3)n2)c(C)c1Cl.

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

The InChIKey is KQVUCWSJTJYUPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN7O/c1-16-23(25)17(2)32(28-16)15-30-11-10-22(29-30)24(33)27-20-12-26-31(14-20)13-19-8-5-7-18-6-3-4-9-21(18)19/h3-12,14H,13,15H2,1-2H3,(H,27,33).

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

1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]pyrazole-3-carboxamide has a molecular weight of 459.94 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 19272041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).