(2S)-2-amino-3-methyl-N-(2-pyrazol-1-ylethyl)pentanamide

C11H20N4O — CID 61460950

IUPAC(2S)-2-amino-3-methyl-N-(2-pyrazol-1-ylethyl)pentanamide
SMILESCCC(C)[C@H](N)C(=O)NCCn1cccn1
InChIInChI=1S/C11H20N4O/c1-3-9(2)10(12)11(16)13-6-8-15-7-4-5-14-15/h4-5,7,9-10H,3,6,8,12H2,1-2H3,(H,13,16)/t9?,10-/m0/s1
InChIKeyQWKAIDXQSGFAFM-AXDSSHIGSA-N
MW224.31 g/mol
LogP0.37
Rot. Bonds6

About (2S)-2-amino-3-methyl-N-(2-pyrazol-1-ylethyl)pentanamide

(2S)-2-amino-3-methyl-N-(2-pyrazol-1-ylethyl)pentanamide (PubChem CID 61460950) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is (2S)-2-amino-3-methyl-N-(2-pyrazol-1-ylethyl)pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-methyl-N-(2-pyrazol-1-ylethyl)pentanamide
PubChem CID61460950
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name(2S)-2-amino-3-methyl-N-(2-pyrazol-1-ylethyl)pentanamide
SMILESCCC(C)[C@H](N)C(=O)NCCn1cccn1
InChIInChI=1S/C11H20N4O/c1-3-9(2)10(12)11(16)13-6-8-15-7-4-5-14-15/h4-5,7,9-10H,3,6,8,12H2,1-2H3,(H,13,16)/t9?,10-/m0/s1
InChIKeyQWKAIDXQSGFAFM-AXDSSHIGSA-N
XLogP0.37
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-(2-imidazol-1-ylethyl)-3-methylpentanamide
CID 61326563
2-bromo-N-(2-pyrazol-1-ylethyl)butanamide
CID 62855459
(2S)-2-amino-N-ethyl-3-methylpentanamide
CID 61172974
(2S,3S)-2-amino-3-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]pentanamide
CID 61179643
2-methyl-3-pyrazol-1-yl-N-(3-pyrazol-1-ylpropyl)propanamide
CID 131920894
1-methyl-3-(2-pyrazol-1-ylethyl)urea
CID 23548396
(2S)-2-amino-3-methyl-N-pyrrol-1-ylpentanamide
CID 79100766
(2R)-2,4-diamino-4-imino-N-(2-pyrazol-1-ylethyl)butanamide
CID 166884819
2,2-diphenyl-N-(2-pyrazol-1-ylethyl)acetamide
CID 110716549
4-amino-5-propan-2-yl-N-(2-pyrazol-1-ylethyl)-1H-pyrazole-3-carboxamide
CID 62077584
2-amino-3-methyl-N-(2-piperidin-1-ylethyl)pentanamide
CID 54967720
(2S)-2-amino-3-methyl-N-[3-(pyrazol-1-ylmethyl)phenyl]pentanamide
CID 61172469

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-methyl-N-(2-pyrazol-1-ylethyl)pentanamide?
The IUPAC name of (2S)-2-amino-3-methyl-N-(2-pyrazol-1-ylethyl)pentanamide (CID 61460950) is (2S)-2-amino-3-methyl-N-(2-pyrazol-1-ylethyl)pentanamide.
What is the SMILES notation for (2S)-2-amino-3-methyl-N-(2-pyrazol-1-ylethyl)pentanamide?
The canonical SMILES for (2S)-2-amino-3-methyl-N-(2-pyrazol-1-ylethyl)pentanamide is CCC(C)[C@H](N)C(=O)NCCn1cccn1.
What is the InChIKey of (2S)-2-amino-3-methyl-N-(2-pyrazol-1-ylethyl)pentanamide?
The InChIKey is QWKAIDXQSGFAFM-AXDSSHIGSA-N. The full InChI is InChI=1S/C11H20N4O/c1-3-9(2)10(12)11(16)13-6-8-15-7-4-5-14-15/h4-5,7,9-10H,3,6,8,12H2,1-2H3,(H,13,16)/t9?,10-/m0/s1.
What are the key properties of (2S)-2-amino-3-methyl-N-(2-pyrazol-1-ylethyl)pentanamide?
(2S)-2-amino-3-methyl-N-(2-pyrazol-1-ylethyl)pentanamide has a molecular weight of 224.31 g/mol, XLogP of 0.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-methyl-N-(2-pyrazol-1-ylethyl)pentanamide is sourced from PubChem (CID 61460950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).