N-(1-ethylpyrazol-3-yl)-2-sulfanylbutanamide

C9H15N3OS — CID 130927400

IUPACN-(1-ethylpyrazol-3-yl)-2-sulfanylbutanamide
SMILESCCC(S)C(=O)Nc1ccn(CC)n1
InChIInChI=1S/C9H15N3OS/c1-3-7(14)9(13)10-8-5-6-12(4-2)11-8/h5-7,14H,3-4H2,1-2H3,(H,10,11,13)
InChIKeyFMLJXCSTHSQWRD-UHFFFAOYSA-N
MW213.31 g/mol
LogP1.55
Rot. Bonds4

About N-(1-ethylpyrazol-3-yl)-2-sulfanylbutanamide

N-(1-ethylpyrazol-3-yl)-2-sulfanylbutanamide (PubChem CID 130927400) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is N-(1-ethylpyrazol-3-yl)-2-sulfanylbutanamide.

Molecular Properties

Compound NameN-(1-ethylpyrazol-3-yl)-2-sulfanylbutanamide
PubChem CID130927400
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC NameN-(1-ethylpyrazol-3-yl)-2-sulfanylbutanamide
SMILESCCC(S)C(=O)Nc1ccn(CC)n1
InChIInChI=1S/C9H15N3OS/c1-3-7(14)9(13)10-8-5-6-12(4-2)11-8/h5-7,14H,3-4H2,1-2H3,(H,10,11,13)
InChIKeyFMLJXCSTHSQWRD-UHFFFAOYSA-N
XLogP1.55
TPSA46.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-(1-ethylpyrazol-3-yl)-2-[(Z)-N'-hydroxycarbamimidoyl]butanamide
CID 114251780
2,2-diethyl-4-[(1-ethylpyrazol-3-yl)amino]-4-oxobutanoic acid
CID 114250817
N-(1-ethylpyrazol-3-yl)-2,3-dihydroxybenzamide
CID 114251339
N-(1-ethylpyrazol-3-yl)-4-(methylamino)benzamide
CID 114252349
N-(1-ethylpyrazol-3-yl)pyridine-2-carboxamide
CID 35286531
N-butan-2-yl-1-ethylpyrazol-3-amine
CID 130496120
2,6-dichloro-N-(1-ethylpyrazol-3-yl)pyridine-4-carboxamide
CID 114251518
3-N,4-N-bis(1-ethylpyrazol-3-yl)-1-methylpyrazole-3,4-dicarboxamide
CID 29097735
3-[(1-ethylpyrazol-3-yl)carbamoylamino]-3-methylbutanoic acid
CID 114251038
N-(1-ethylpyrazol-3-yl)pyridine-3-carboxamide
CID 35286222
2-[(1-ethylpyrazol-3-yl)carbamoyl-methylamino]-2-methylpropanoic acid
CID 114251102
2-bromo-N-(1-propan-2-ylpyrazol-3-yl)butanamide
CID 130495798

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpyrazol-3-yl)-2-sulfanylbutanamide?
The IUPAC name of N-(1-ethylpyrazol-3-yl)-2-sulfanylbutanamide (CID 130927400) is N-(1-ethylpyrazol-3-yl)-2-sulfanylbutanamide.
What is the SMILES notation for N-(1-ethylpyrazol-3-yl)-2-sulfanylbutanamide?
The canonical SMILES for N-(1-ethylpyrazol-3-yl)-2-sulfanylbutanamide is CCC(S)C(=O)Nc1ccn(CC)n1.
What is the InChIKey of N-(1-ethylpyrazol-3-yl)-2-sulfanylbutanamide?
The InChIKey is FMLJXCSTHSQWRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c1-3-7(14)9(13)10-8-5-6-12(4-2)11-8/h5-7,14H,3-4H2,1-2H3,(H,10,11,13).
What are the key properties of N-(1-ethylpyrazol-3-yl)-2-sulfanylbutanamide?
N-(1-ethylpyrazol-3-yl)-2-sulfanylbutanamide has a molecular weight of 213.31 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpyrazol-3-yl)-2-sulfanylbutanamide is sourced from PubChem (CID 130927400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).