2-butylsulfanyl-N-(1H-pyrazol-4-yl)acetamide

C9H15N3OS — CID 43429816

IUPAC2-butylsulfanyl-N-(1H-pyrazol-4-yl)acetamide
SMILESCCCCSCC(=O)Nc1cn[nH]c1
InChIInChI=1S/C9H15N3OS/c1-2-3-4-14-7-9(13)12-8-5-10-11-6-8/h5-6H,2-4,7H2,1H3,(H,10,11)(H,12,13)
InChIKeyUCPLEAIGCGJSOA-UHFFFAOYSA-N
MW213.31 g/mol
LogP1.88
Rot. Bonds6

About 2-butylsulfanyl-N-(1H-pyrazol-4-yl)acetamide

2-butylsulfanyl-N-(1H-pyrazol-4-yl)acetamide (PubChem CID 43429816) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is 2-butylsulfanyl-N-(1H-pyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-butylsulfanyl-N-(1H-pyrazol-4-yl)acetamide
PubChem CID43429816
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC Name2-butylsulfanyl-N-(1H-pyrazol-4-yl)acetamide
SMILESCCCCSCC(=O)Nc1cn[nH]c1
InChIInChI=1S/C9H15N3OS/c1-2-3-4-14-7-9(13)12-8-5-10-11-6-8/h5-6H,2-4,7H2,1H3,(H,10,11)(H,12,13)
InChIKeyUCPLEAIGCGJSOA-UHFFFAOYSA-N
XLogP1.88
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-Acetylaminopyrazole
CID 12346894
N-(1H-pyrazol-4-yl)but-2-ynamide hydrochloride
CID 155820287
N-(1H-pyrazol-4-yl)-4-(3-sulfanylpropanoylamino)butanamide
CID 177681374
N-(3-chloro-1H-pyrazol-4-yl)-3-((3,3,3-trifluoropropyl)thio)propanamide
CID 91754505
N-(1H-pyrazol-4-yl)-2-(trifluoromethylsulfanyl)acetamide
CID 38016277
(2R)-N-(1H-pyrazol-4-yl)-2-(trifluoromethylsulfanyl)propanamide
CID 38016283
(2S)-N-(1H-pyrazol-4-yl)-2-(trifluoromethylsulfanyl)propanamide
CID 38016288
N-(1H-pyrazol-4-yl)-2-(trifluoromethylsulfanyl)propanamide
CID 45816287
N-(1H-pyrazol-4-yl)but-2-ynamide
CID 107261723
N-(1H-pyrazol-4-yl)butanamide
CID 13450485
2,2-dimethyl-N-(1H-pyrazol-4-yl)propanamide
CID 20784714
2-(dimethylamino)-N-(1H-pyrazol-4-yl)acetamide
CID 20784744

Frequently Asked Questions

What is the IUPAC name of 2-butylsulfanyl-N-(1H-pyrazol-4-yl)acetamide?
The IUPAC name of 2-butylsulfanyl-N-(1H-pyrazol-4-yl)acetamide (CID 43429816) is 2-butylsulfanyl-N-(1H-pyrazol-4-yl)acetamide.
What is the SMILES notation for 2-butylsulfanyl-N-(1H-pyrazol-4-yl)acetamide?
The canonical SMILES for 2-butylsulfanyl-N-(1H-pyrazol-4-yl)acetamide is CCCCSCC(=O)Nc1cn[nH]c1.
What is the InChIKey of 2-butylsulfanyl-N-(1H-pyrazol-4-yl)acetamide?
The InChIKey is UCPLEAIGCGJSOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c1-2-3-4-14-7-9(13)12-8-5-10-11-6-8/h5-6H,2-4,7H2,1H3,(H,10,11)(H,12,13).
What are the key properties of 2-butylsulfanyl-N-(1H-pyrazol-4-yl)acetamide?
2-butylsulfanyl-N-(1H-pyrazol-4-yl)acetamide has a molecular weight of 213.31 g/mol, XLogP of 1.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butylsulfanyl-N-(1H-pyrazol-4-yl)acetamide is sourced from PubChem (CID 43429816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).