N-[(2S)-2-(dimethylamino)-3-methylbutyl]-3-(1H-pyrazol-4-yl)propanamide

C₁₃H₂₄N₄O — CID 125446001

About N-[(2S)-2-(dimethylamino)-3-methylbutyl]-3-(1H-pyrazol-4-yl)propanamide

N-[(2S)-2-(dimethylamino)-3-methylbutyl]-3-(1H-pyrazol-4-yl)propanamide (PubChem CID 125446001) has the molecular formula C₁₃H₂₄N₄O and a molecular weight of 252.36 g/mol. Its IUPAC name is N-[(2S)-2-(dimethylamino)-3-methylbutyl]-3-(1H-pyrazol-4-yl)propanamide.

Molecular Properties

• Compound Name: N-[(2S)-2-(dimethylamino)-3-methylbutyl]-3-(1H-pyrazol-4-yl)propanamide
• PubChem CID: 125446001
• Molecular Formula: C₁₃H₂₄N₄O
• Molecular Weight: 252.36 g/mol
• Exact Mass: 252.20
• IUPAC Name: N-[(2S)-2-(dimethylamino)-3-methylbutyl]-3-(1H-pyrazol-4-yl)propanamide
• SMILES: CC(C)[C@@H](CNC(=O)CCc1cn[nH]c1)N(C)C
• InChI: InChI=1S/C13H24N4O/c1-10(2)12(17(3)4)9-14-13(18)6-5-11-7-15-16-8-11/h7-8,10,12H,5-6,9H2,1-4H3,(H,14,18)(H,15,16)/t12-/m1/s1
• InChIKey: ZMSDEPQTEZPDLQ-GFCCVEGCSA-N
• XLogP: 1.04
• TPSA: 61.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	252.36
LogP ≤ 5	1.04
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(dimethylamino)-3-methylbutyl]-3-(1H-pyrazol-4-yl)propanamide?

The IUPAC name of N-[(2S)-2-(dimethylamino)-3-methylbutyl]-3-(1H-pyrazol-4-yl)propanamide (CID 125446001) is N-[(2S)-2-(dimethylamino)-3-methylbutyl]-3-(1H-pyrazol-4-yl)propanamide.

What is the SMILES notation for N-[(2S)-2-(dimethylamino)-3-methylbutyl]-3-(1H-pyrazol-4-yl)propanamide?

The canonical SMILES for N-[(2S)-2-(dimethylamino)-3-methylbutyl]-3-(1H-pyrazol-4-yl)propanamide is CC(C)[C@@H](CNC(=O)CCc1cn[nH]c1)N(C)C.

What is the InChIKey of N-[(2S)-2-(dimethylamino)-3-methylbutyl]-3-(1H-pyrazol-4-yl)propanamide?

The InChIKey is ZMSDEPQTEZPDLQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H24N4O/c1-10(2)12(17(3)4)9-14-13(18)6-5-11-7-15-16-8-11/h7-8,10,12H,5-6,9H2,1-4H3,(H,14,18)(H,15,16)/t12-/m1/s1.

What are the key properties of N-[(2S)-2-(dimethylamino)-3-methylbutyl]-3-(1H-pyrazol-4-yl)propanamide?

N-[(2S)-2-(dimethylamino)-3-methylbutyl]-3-(1H-pyrazol-4-yl)propanamide has a molecular weight of 252.36 g/mol, XLogP of 1.04, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-2-(dimethylamino)-3-methylbutyl]-3-(1H-pyrazol-4-yl)propanamide is sourced from PubChem (CID 125446001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 125446001 — identifiers, structure, computed properties (public domain)

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