N-(4-ethyl-1H-pyrazol-5-yl)thiolane-2-carboxamide

C10H15N3OS — CID 115692476

IUPACN-(4-ethyl-1H-pyrazol-5-yl)thiolane-2-carboxamide
SMILESCCc1cn[nH]c1NC(=O)C1CCCS1
InChIInChI=1S/C10H15N3OS/c1-2-7-6-11-13-9(7)12-10(14)8-4-3-5-15-8/h6,8H,2-5H2,1H3,(H2,11,12,13,14)
InChIKeyOVQIDUGWCVZYJJ-UHFFFAOYSA-N
MW225.32 g/mol
LogP1.81
Rot. Bonds3

About N-(4-ethyl-1H-pyrazol-5-yl)thiolane-2-carboxamide

N-(4-ethyl-1H-pyrazol-5-yl)thiolane-2-carboxamide (PubChem CID 115692476) has the molecular formula C10H15N3OS and a molecular weight of 225.32 g/mol. Its IUPAC name is N-(4-ethyl-1H-pyrazol-5-yl)thiolane-2-carboxamide.

Molecular Properties

Compound NameN-(4-ethyl-1H-pyrazol-5-yl)thiolane-2-carboxamide
PubChem CID115692476
Molecular FormulaC10H15N3OS
Molecular Weight225.32 g/mol
Exact Mass225.09
IUPAC NameN-(4-ethyl-1H-pyrazol-5-yl)thiolane-2-carboxamide
SMILESCCc1cn[nH]c1NC(=O)C1CCCS1
InChIInChI=1S/C10H15N3OS/c1-2-7-6-11-13-9(7)12-10(14)8-4-3-5-15-8/h6,8H,2-5H2,1H3,(H2,11,12,13,14)
InChIKeyOVQIDUGWCVZYJJ-UHFFFAOYSA-N
XLogP1.81
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-ethyl-1H-pyrazol-5-yl)-4,4,4-trifluorobutanamide
CID 115692323
N-(4-ethyl-1H-pyrazol-5-yl)acetamide
CID 11789408
2-methylidene-4-methylsulfanyl-N-(1H-pyrazol-5-yl)butanamide
CID 153505955
N-(4-Ethyl-1H-pyrazol-3-yl)butyramide
CID 45119548
N-(1H-pyrazol-5-yl)thiolane-2-carboxamide
CID 64165166
N-(1H-pyrazol-5-yl)thiolane-3-carboxamide
CID 64165167
N-(4-carbamothioyl-1H-pyrazol-5-yl)thiolane-2-carboxamide
CID 79499843
N-(4-cyano-1H-pyrazol-5-yl)thiolane-2-carboxamide
CID 79503281
N-(4-cyano-1H-pyrazol-5-yl)thiolane-3-carboxamide
CID 79503371
N-(4-carbamothioyl-1H-pyrazol-5-yl)-2-methylpentanamide
CID 79503411
N-(4-carbamothioyl-1H-pyrazol-5-yl)-2-methylcyclopropane-1-carboxamide
CID 79503882
N-(4-carbamothioyl-1H-pyrazol-5-yl)thiolane-3-carboxamide
CID 79504066

Frequently Asked Questions

What is the IUPAC name of N-(4-ethyl-1H-pyrazol-5-yl)thiolane-2-carboxamide?
The IUPAC name of N-(4-ethyl-1H-pyrazol-5-yl)thiolane-2-carboxamide (CID 115692476) is N-(4-ethyl-1H-pyrazol-5-yl)thiolane-2-carboxamide.
What is the SMILES notation for N-(4-ethyl-1H-pyrazol-5-yl)thiolane-2-carboxamide?
The canonical SMILES for N-(4-ethyl-1H-pyrazol-5-yl)thiolane-2-carboxamide is CCc1cn[nH]c1NC(=O)C1CCCS1.
What is the InChIKey of N-(4-ethyl-1H-pyrazol-5-yl)thiolane-2-carboxamide?
The InChIKey is OVQIDUGWCVZYJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS/c1-2-7-6-11-13-9(7)12-10(14)8-4-3-5-15-8/h6,8H,2-5H2,1H3,(H2,11,12,13,14).
What are the key properties of N-(4-ethyl-1H-pyrazol-5-yl)thiolane-2-carboxamide?
N-(4-ethyl-1H-pyrazol-5-yl)thiolane-2-carboxamide has a molecular weight of 225.32 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethyl-1H-pyrazol-5-yl)thiolane-2-carboxamide is sourced from PubChem (CID 115692476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).