(2S,3S)-2-amino-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N,3-dimethylpentanamide

C14H26N4O — CID 90649673

IUPAC(2S,3S)-2-amino-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N,3-dimethylpentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)N(C)CCc1c(C)n[nH]c1C
InChIInChI=1S/C14H26N4O/c1-6-9(2)13(15)14(19)18(5)8-7-12-10(3)16-17-11(12)4/h9,13H,6-8,15H2,1-5H3,(H,16,17)/t9-,13-/m0/s1
InChIKeyIYQDBTILLRRRBH-ZANVPECISA-N
MW266.39 g/mol
LogP1.40
Rot. Bonds6

About (2S,3S)-2-amino-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N,3-dimethylpentanamide

(2S,3S)-2-amino-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N,3-dimethylpentanamide (PubChem CID 90649673) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is (2S,3S)-2-amino-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N,3-dimethylpentanamide.

Molecular Properties

Compound Name(2S,3S)-2-amino-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N,3-dimethylpentanamide
PubChem CID90649673
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name(2S,3S)-2-amino-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N,3-dimethylpentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)N(C)CCc1c(C)n[nH]c1C
InChIInChI=1S/C14H26N4O/c1-6-9(2)13(15)14(19)18(5)8-7-12-10(3)16-17-11(12)4/h9,13H,6-8,15H2,1-5H3,(H,16,17)/t9-,13-/m0/s1
InChIKeyIYQDBTILLRRRBH-ZANVPECISA-N
XLogP1.40
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-amino-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N,3-dimethylpentanamide?
The IUPAC name of (2S,3S)-2-amino-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N,3-dimethylpentanamide (CID 90649673) is (2S,3S)-2-amino-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N,3-dimethylpentanamide.
What is the SMILES notation for (2S,3S)-2-amino-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N,3-dimethylpentanamide?
The canonical SMILES for (2S,3S)-2-amino-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N,3-dimethylpentanamide is CC[C@H](C)[C@H](N)C(=O)N(C)CCc1c(C)n[nH]c1C.
What is the InChIKey of (2S,3S)-2-amino-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N,3-dimethylpentanamide?
The InChIKey is IYQDBTILLRRRBH-ZANVPECISA-N. The full InChI is InChI=1S/C14H26N4O/c1-6-9(2)13(15)14(19)18(5)8-7-12-10(3)16-17-11(12)4/h9,13H,6-8,15H2,1-5H3,(H,16,17)/t9-,13-/m0/s1.
What are the key properties of (2S,3S)-2-amino-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N,3-dimethylpentanamide?
(2S,3S)-2-amino-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N,3-dimethylpentanamide has a molecular weight of 266.39 g/mol, XLogP of 1.40, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-amino-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N,3-dimethylpentanamide is sourced from PubChem (CID 90649673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).