(2R)-2-amino-N-(1-ethylpyrazol-4-yl)-4-methylsulfanylbutanamide

C10H18N4OS — CID 104906984

IUPAC(2R)-2-amino-N-(1-ethylpyrazol-4-yl)-4-methylsulfanylbutanamide
SMILESCCn1cc(NC(=O)[C@H](N)CCSC)cn1
InChIInChI=1S/C10H18N4OS/c1-3-14-7-8(6-12-14)13-10(15)9(11)4-5-16-2/h6-7,9H,3-5,11H2,1-2H3,(H,13,15)/t9-/m1/s1
InChIKeyMLBPNUOKVUAQDB-SECBINFHSA-N
MW242.35 g/mol
LogP0.92
Rot. Bonds6

About (2R)-2-amino-N-(1-ethylpyrazol-4-yl)-4-methylsulfanylbutanamide

(2R)-2-amino-N-(1-ethylpyrazol-4-yl)-4-methylsulfanylbutanamide (PubChem CID 104906984) has the molecular formula C10H18N4OS and a molecular weight of 242.35 g/mol. Its IUPAC name is (2R)-2-amino-N-(1-ethylpyrazol-4-yl)-4-methylsulfanylbutanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(1-ethylpyrazol-4-yl)-4-methylsulfanylbutanamide
PubChem CID104906984
Molecular FormulaC10H18N4OS
Molecular Weight242.35 g/mol
Exact Mass242.12
IUPAC Name(2R)-2-amino-N-(1-ethylpyrazol-4-yl)-4-methylsulfanylbutanamide
SMILESCCn1cc(NC(=O)[C@H](N)CCSC)cn1
InChIInChI=1S/C10H18N4OS/c1-3-14-7-8(6-12-14)13-10(15)9(11)4-5-16-2/h6-7,9H,3-5,11H2,1-2H3,(H,13,15)/t9-/m1/s1
InChIKeyMLBPNUOKVUAQDB-SECBINFHSA-N
XLogP0.92
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R)-2-amino-N-(1-ethylpyrazol-4-yl)-4-methylsulfanylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-N-(1-ethylpyrazol-4-yl)-3-phenylpropanamide;hydrochloride
CID 119292189
(2S)-2-amino-N-(1-ethylpyrazol-4-yl)-3-methylpentanamide
CID 61172285
2-amino-N-[1-(2,2-difluoroethyl)pyrazol-4-yl]pentanamide
CID 119328796
2-[4-(2-aminohexanoylamino)pyrazol-1-yl]acetic acid
CID 61285745
2-amino-N-(1-ethylpyrazol-4-yl)-2-phenylacetamide
CID 43543649
(2S)-2-amino-4-methylsulfanyl-N-pyridin-4-ylbutanamide
CID 61148006
2-amino-N-[1-(2-methoxyethyl)pyrazol-4-yl]pentanamide;hydrochloride
CID 119292254
2-[4-[[2-(carbamoylamino)-4-methylsulfanylbutanoyl]amino]pyrazol-1-yl]acetic acid
CID 61018102
N-(1-ethylpyrazol-4-yl)-3-methyl-2-sulfanylbutanamide
CID 107022932
(2S)-2-amino-4-methylsulfanyl-N-[4-(propanoylamino)phenyl]butanamide
CID 61179133
2-amino-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]butanamide
CID 54863171
(2S)-2-amino-N-(6-chloro-3-pyridinyl)-4-methylsulfanylbutanamide
CID 81425127

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(1-ethylpyrazol-4-yl)-4-methylsulfanylbutanamide?
The IUPAC name of (2R)-2-amino-N-(1-ethylpyrazol-4-yl)-4-methylsulfanylbutanamide (CID 104906984) is (2R)-2-amino-N-(1-ethylpyrazol-4-yl)-4-methylsulfanylbutanamide.
What is the SMILES notation for (2R)-2-amino-N-(1-ethylpyrazol-4-yl)-4-methylsulfanylbutanamide?
The canonical SMILES for (2R)-2-amino-N-(1-ethylpyrazol-4-yl)-4-methylsulfanylbutanamide is CCn1cc(NC(=O)[C@H](N)CCSC)cn1.
What is the InChIKey of (2R)-2-amino-N-(1-ethylpyrazol-4-yl)-4-methylsulfanylbutanamide?
The InChIKey is MLBPNUOKVUAQDB-SECBINFHSA-N. The full InChI is InChI=1S/C10H18N4OS/c1-3-14-7-8(6-12-14)13-10(15)9(11)4-5-16-2/h6-7,9H,3-5,11H2,1-2H3,(H,13,15)/t9-/m1/s1.
What are the key properties of (2R)-2-amino-N-(1-ethylpyrazol-4-yl)-4-methylsulfanylbutanamide?
(2R)-2-amino-N-(1-ethylpyrazol-4-yl)-4-methylsulfanylbutanamide has a molecular weight of 242.35 g/mol, XLogP of 0.92, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(1-ethylpyrazol-4-yl)-4-methylsulfanylbutanamide is sourced from PubChem (CID 104906984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).