3-(2,5-dimethoxyphenyl)-N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-1H-pyrazole-5-carboxamide

C18H25N3O4 — CID 124862464

About 3-(2,5-dimethoxyphenyl)-N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-1H-pyrazole-5-carboxamide

3-(2,5-dimethoxyphenyl)-N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-1H-pyrazole-5-carboxamide (PubChem CID 124862464) has the molecular formula C18H25N3O4 and a molecular weight of 347.42 g/mol. Its IUPAC name is 3-(2,5-dimethoxyphenyl)-N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-1H-pyrazole-5-carboxamide.

Molecular Properties

• Compound Name: 3-(2,5-dimethoxyphenyl)-N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-1H-pyrazole-5-carboxamide
• PubChem CID: 124862464
• Molecular Formula: C18H25N3O4
• Molecular Weight: 347.42 g/mol
• Exact Mass: 347.18
• IUPAC Name: 3-(2,5-dimethoxyphenyl)-N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-1H-pyrazole-5-carboxamide
• SMILES: CC[C@H](C)[C@@H](CO)NC(=O)c1cc(-c2cc(OC)ccc2OC)n[nH]1
• InChI: InChI=1S/C18H25N3O4/c1-5-11(2)16(10-22)19-18(23)15-9-14(20-21-15)13-8-12(24-3)6-7-17(13)25-4/h6-9,11,16,22H,5,10H2,1-4H3,(H,19,23)(H,20,21)/t11-,16+/m0/s1
• InChIKey: NCOJNULHMJAGIW-MEDUHNTESA-N
• XLogP: 2.23
• TPSA: 96.47 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	347.42
LogP ≤ 5	2.23
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethoxyphenyl)-N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-1H-pyrazole-5-carboxamide?

The IUPAC name of 3-(2,5-dimethoxyphenyl)-N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-1H-pyrazole-5-carboxamide (CID 124862464) is 3-(2,5-dimethoxyphenyl)-N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-1H-pyrazole-5-carboxamide.

What is the SMILES notation for 3-(2,5-dimethoxyphenyl)-N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-1H-pyrazole-5-carboxamide?

The canonical SMILES for 3-(2,5-dimethoxyphenyl)-N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-1H-pyrazole-5-carboxamide is CC[C@H](C)[C@@H](CO)NC(=O)c1cc(-c2cc(OC)ccc2OC)n[nH]1.

What is the InChIKey of 3-(2,5-dimethoxyphenyl)-N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-1H-pyrazole-5-carboxamide?

The InChIKey is NCOJNULHMJAGIW-MEDUHNTESA-N. The full InChI is InChI=1S/C18H25N3O4/c1-5-11(2)16(10-22)19-18(23)15-9-14(20-21-15)13-8-12(24-3)6-7-17(13)25-4/h6-9,11,16,22H,5,10H2,1-4H3,(H,19,23)(H,20,21)/t11-,16+/m0/s1.

What are the key properties of 3-(2,5-dimethoxyphenyl)-N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-1H-pyrazole-5-carboxamide?

3-(2,5-dimethoxyphenyl)-N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-1H-pyrazole-5-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 2.23, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2,5-dimethoxyphenyl)-N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 124862464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).