(2S)-2-amino-N-(5-ethyl-1H-pyrazol-3-yl)-4-methylsulfanylbutanamide

C10H18N4OS — CID 103950165

IUPAC(2S)-2-amino-N-(5-ethyl-1H-pyrazol-3-yl)-4-methylsulfanylbutanamide
SMILESCCc1cc(NC(=O)[C@@H](N)CCSC)n[nH]1
InChIInChI=1S/C10H18N4OS/c1-3-7-6-9(14-13-7)12-10(15)8(11)4-5-16-2/h6,8H,3-5,11H2,1-2H3,(H2,12,13,14,15)/t8-/m0/s1
InChIKeyWYKHWHYGHOGNMU-QMMMGPOBSA-N
MW242.35 g/mol
LogP0.99
Rot. Bonds6

About (2S)-2-amino-N-(5-ethyl-1H-pyrazol-3-yl)-4-methylsulfanylbutanamide

(2S)-2-amino-N-(5-ethyl-1H-pyrazol-3-yl)-4-methylsulfanylbutanamide (PubChem CID 103950165) has the molecular formula C10H18N4OS and a molecular weight of 242.35 g/mol. Its IUPAC name is (2S)-2-amino-N-(5-ethyl-1H-pyrazol-3-yl)-4-methylsulfanylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(5-ethyl-1H-pyrazol-3-yl)-4-methylsulfanylbutanamide
PubChem CID103950165
Molecular FormulaC10H18N4OS
Molecular Weight242.35 g/mol
Exact Mass242.12
IUPAC Name(2S)-2-amino-N-(5-ethyl-1H-pyrazol-3-yl)-4-methylsulfanylbutanamide
SMILESCCc1cc(NC(=O)[C@@H](N)CCSC)n[nH]1
InChIInChI=1S/C10H18N4OS/c1-3-7-6-9(14-13-7)12-10(15)8(11)4-5-16-2/h6,8H,3-5,11H2,1-2H3,(H2,12,13,14,15)/t8-/m0/s1
InChIKeyWYKHWHYGHOGNMU-QMMMGPOBSA-N
XLogP0.99
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-ethyl-1H-pyrazol-3-yl)-3-methylsulfanylpropanamide
CID 115593810
(2S)-2-amino-N-(4-ethyl-1H-pyrazol-5-yl)-4-methylsulfanylbutanamide
CID 104619288
(5-ethyl-1H-pyrazol-3-yl)urea
CID 104620406
(2R)-2-amino-N-(5-bromopyrazin-2-yl)-4-methylsulfanylbutanamide
CID 104908637
(2S)-2-amino-N-(6-fluoro-2-pyridinyl)-4-methylsulfanylbutanamide
CID 104893696
(2S)-2-amino-N-(2-chloropyrimidin-4-yl)-4-methylsulfanylbutanamide
CID 104893497
(2S)-2-amino-N-[2-[(5-ethyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]-3-methylbutanamide
CID 104618040
(2S)-2-amino-N-(2-ethylphenyl)-4-methylsulfanylbutanamide
CID 22691889
3-amino-N-(5-ethyl-1H-pyrazol-3-yl)-2-phenylpropanamide
CID 104618025
2-methylpropyl N-(5-ethyl-1H-pyrazol-3-yl)carbamate
CID 104620381
(2S)-2-amino-N-(5-fluoro-2-methylphenyl)-4-methylsulfanylbutanamide
CID 61149301
2-amino-N-(5-fluoro-2-methylphenyl)-4-methylsulfanylbutanamide
CID 76892783

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(5-ethyl-1H-pyrazol-3-yl)-4-methylsulfanylbutanamide?
The IUPAC name of (2S)-2-amino-N-(5-ethyl-1H-pyrazol-3-yl)-4-methylsulfanylbutanamide (CID 103950165) is (2S)-2-amino-N-(5-ethyl-1H-pyrazol-3-yl)-4-methylsulfanylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-(5-ethyl-1H-pyrazol-3-yl)-4-methylsulfanylbutanamide?
The canonical SMILES for (2S)-2-amino-N-(5-ethyl-1H-pyrazol-3-yl)-4-methylsulfanylbutanamide is CCc1cc(NC(=O)[C@@H](N)CCSC)n[nH]1.
What is the InChIKey of (2S)-2-amino-N-(5-ethyl-1H-pyrazol-3-yl)-4-methylsulfanylbutanamide?
The InChIKey is WYKHWHYGHOGNMU-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H18N4OS/c1-3-7-6-9(14-13-7)12-10(15)8(11)4-5-16-2/h6,8H,3-5,11H2,1-2H3,(H2,12,13,14,15)/t8-/m0/s1.
What are the key properties of (2S)-2-amino-N-(5-ethyl-1H-pyrazol-3-yl)-4-methylsulfanylbutanamide?
(2S)-2-amino-N-(5-ethyl-1H-pyrazol-3-yl)-4-methylsulfanylbutanamide has a molecular weight of 242.35 g/mol, XLogP of 0.99, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(5-ethyl-1H-pyrazol-3-yl)-4-methylsulfanylbutanamide is sourced from PubChem (CID 103950165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).