N-(5-ethyl-1H-pyrazol-3-yl)-3-methylsulfanylpropanamide

C9H15N3OS — CID 115593810

IUPACN-(5-ethyl-1H-pyrazol-3-yl)-3-methylsulfanylpropanamide
SMILESCCc1cc(NC(=O)CCSC)n[nH]1
InChIInChI=1S/C9H15N3OS/c1-3-7-6-8(12-11-7)10-9(13)4-5-14-2/h6H,3-5H2,1-2H3,(H2,10,11,12,13)
InChIKeyXWLFUQFFOKDBSQ-UHFFFAOYSA-N
MW213.31 g/mol
LogP1.66
Rot. Bonds5

About N-(5-ethyl-1H-pyrazol-3-yl)-3-methylsulfanylpropanamide

N-(5-ethyl-1H-pyrazol-3-yl)-3-methylsulfanylpropanamide (PubChem CID 115593810) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is N-(5-ethyl-1H-pyrazol-3-yl)-3-methylsulfanylpropanamide.

Molecular Properties

Compound NameN-(5-ethyl-1H-pyrazol-3-yl)-3-methylsulfanylpropanamide
PubChem CID115593810
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC NameN-(5-ethyl-1H-pyrazol-3-yl)-3-methylsulfanylpropanamide
SMILESCCc1cc(NC(=O)CCSC)n[nH]1
InChIInChI=1S/C9H15N3OS/c1-3-7-6-8(12-11-7)10-9(13)4-5-14-2/h6H,3-5H2,1-2H3,(H2,10,11,12,13)
InChIKeyXWLFUQFFOKDBSQ-UHFFFAOYSA-N
XLogP1.66
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-ethyl-1H-pyrazol-3-yl)-3-phenylsulfanylpropanamide
CID 104619671
3-(4-chlorophenyl)sulfanyl-N-(5-ethyl-1H-pyrazol-3-yl)propanamide
CID 115776629
(2S)-2-amino-N-(5-ethyl-1H-pyrazol-3-yl)-4-methylsulfanylbutanamide
CID 103950165
4-amino-N-(5-ethyl-1H-pyrazol-3-yl)pentanamide
CID 104617963
(5-ethyl-1H-pyrazol-3-yl)urea
CID 104620406
2-tert-butylsulfanyl-N-(5-ethyl-1H-pyrazol-3-yl)acetamide
CID 115593811
2-cyclopentyl-N-(5-ethyl-1H-pyrazol-3-yl)acetamide
CID 115593738
N-(5-ethyl-1H-pyrazol-3-yl)cyclopent-3-ene-1-carboxamide
CID 115644958
N-(5-ethyl-1H-pyrazol-3-yl)-3-methylpentanamide
CID 114875544
2-[2-[(5-ethyl-1H-pyrazol-3-yl)amino]-2-oxoethoxy]acetic acid
CID 104617294
N-(5-ethyl-1H-pyrazol-3-yl)-3-piperidin-4-yloxypropanamide
CID 104617993
3-(2,2-difluoroethoxy)-N-(5-ethyl-1H-pyrazol-3-yl)propanamide
CID 103209298

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1H-pyrazol-3-yl)-3-methylsulfanylpropanamide?
The IUPAC name of N-(5-ethyl-1H-pyrazol-3-yl)-3-methylsulfanylpropanamide (CID 115593810) is N-(5-ethyl-1H-pyrazol-3-yl)-3-methylsulfanylpropanamide.
What is the SMILES notation for N-(5-ethyl-1H-pyrazol-3-yl)-3-methylsulfanylpropanamide?
The canonical SMILES for N-(5-ethyl-1H-pyrazol-3-yl)-3-methylsulfanylpropanamide is CCc1cc(NC(=O)CCSC)n[nH]1.
What is the InChIKey of N-(5-ethyl-1H-pyrazol-3-yl)-3-methylsulfanylpropanamide?
The InChIKey is XWLFUQFFOKDBSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c1-3-7-6-8(12-11-7)10-9(13)4-5-14-2/h6H,3-5H2,1-2H3,(H2,10,11,12,13).
What are the key properties of N-(5-ethyl-1H-pyrazol-3-yl)-3-methylsulfanylpropanamide?
N-(5-ethyl-1H-pyrazol-3-yl)-3-methylsulfanylpropanamide has a molecular weight of 213.31 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1H-pyrazol-3-yl)-3-methylsulfanylpropanamide is sourced from PubChem (CID 115593810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).