N-[1-(2-methoxyphenyl)propan-2-yl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide

C20H25N5O2 — CID 46963675

About N-[1-(2-methoxyphenyl)propan-2-yl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide

N-[1-(2-methoxyphenyl)propan-2-yl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide (PubChem CID 46963675) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is N-[1-(2-methoxyphenyl)propan-2-yl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[1-(2-methoxyphenyl)propan-2-yl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
• PubChem CID: 46963675
• Molecular Formula: C20H25N5O2
• Molecular Weight: 367.45 g/mol
• Exact Mass: 367.20
• IUPAC Name: N-[1-(2-methoxyphenyl)propan-2-yl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
• SMILES: COc1ccccc1CC(C)NC(=O)c1cc(-c2c(C)nn(C)c2C)n[nH]1
• InChI: InChI=1S/C20H25N5O2/c1-12(10-15-8-6-7-9-18(15)27-5)21-20(26)17-11-16(22-23-17)19-13(2)24-25(4)14(19)3/h6-9,11-12H,10H2,1-5H3,(H,21,26)(H,22,23)
• InChIKey: JAWZQXPGPQMQBA-UHFFFAOYSA-N
• XLogP: 2.80
• TPSA: 84.83 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	367.45
LogP ≤ 5	2.80
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyphenyl)propan-2-yl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide?

The IUPAC name of N-[1-(2-methoxyphenyl)propan-2-yl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide (CID 46963675) is N-[1-(2-methoxyphenyl)propan-2-yl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide.

What is the SMILES notation for N-[1-(2-methoxyphenyl)propan-2-yl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide?

The canonical SMILES for N-[1-(2-methoxyphenyl)propan-2-yl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide is COc1ccccc1CC(C)NC(=O)c1cc(-c2c(C)nn(C)c2C)n[nH]1.

What is the InChIKey of N-[1-(2-methoxyphenyl)propan-2-yl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide?

The InChIKey is JAWZQXPGPQMQBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-12(10-15-8-6-7-9-18(15)27-5)21-20(26)17-11-16(22-23-17)19-13(2)24-25(4)14(19)3/h6-9,11-12H,10H2,1-5H3,(H,21,26)(H,22,23).

What are the key properties of N-[1-(2-methoxyphenyl)propan-2-yl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide?

N-[1-(2-methoxyphenyl)propan-2-yl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 2.80, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(2-methoxyphenyl)propan-2-yl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 46963675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).