N-[3-(aminomethyl)pentan-3-yl]-3-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]propanamide

C22H34N4O — CID 119571153

About N-[3-(aminomethyl)pentan-3-yl]-3-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]propanamide

N-[3-(aminomethyl)pentan-3-yl]-3-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]propanamide (PubChem CID 119571153) has the molecular formula C22H34N4O and a molecular weight of 370.54 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-3-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]propanamide.

Molecular Properties

• Compound Name: N-[3-(aminomethyl)pentan-3-yl]-3-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]propanamide
• PubChem CID: 119571153
• Molecular Formula: C22H34N4O
• Molecular Weight: 370.54 g/mol
• Exact Mass: 370.27
• IUPAC Name: N-[3-(aminomethyl)pentan-3-yl]-3-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]propanamide
• SMILES: CCC(CC)(CN)NC(=O)CCc1c(C)nn(Cc2ccc(C)cc2)c1C
• InChI: InChI=1S/C22H34N4O/c1-6-22(7-2,15-23)24-21(27)13-12-20-17(4)25-26(18(20)5)14-19-10-8-16(3)9-11-19/h8-11H,6-7,12-15,23H2,1-5H3,(H,24,27)
• InChIKey: AYIQFFVAILRRBD-UHFFFAOYSA-N
• XLogP: 3.42
• TPSA: 72.94 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	370.54
LogP ≤ 5	3.42
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-3-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]propanamide?

The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-3-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]propanamide (CID 119571153) is N-[3-(aminomethyl)pentan-3-yl]-3-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]propanamide.

What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-3-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]propanamide?

The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-3-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]propanamide is CCC(CC)(CN)NC(=O)CCc1c(C)nn(Cc2ccc(C)cc2)c1C.

What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-3-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]propanamide?

The InChIKey is AYIQFFVAILRRBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O/c1-6-22(7-2,15-23)24-21(27)13-12-20-17(4)25-26(18(20)5)14-19-10-8-16(3)9-11-19/h8-11H,6-7,12-15,23H2,1-5H3,(H,24,27).

What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-3-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]propanamide?

N-[3-(aminomethyl)pentan-3-yl]-3-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]propanamide has a molecular weight of 370.54 g/mol, XLogP of 3.42, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(aminomethyl)pentan-3-yl]-3-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]propanamide is sourced from PubChem (CID 119571153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).