N-(2-ethylsulfanylcyclopentyl)-5-methyl-1H-pyrazole-4-carboxamide

C12H19N3OS — CID 103727551

IUPACN-(2-ethylsulfanylcyclopentyl)-5-methyl-1H-pyrazole-4-carboxamide
SMILESCCSC1CCCC1NC(=O)c1cn[nH]c1C
InChIInChI=1S/C12H19N3OS/c1-3-17-11-6-4-5-10(11)14-12(16)9-7-13-15-8(9)2/h7,10-11H,3-6H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyWUSXGBDOZAKTIZ-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.12
Rot. Bonds4

About N-(2-ethylsulfanylcyclopentyl)-5-methyl-1H-pyrazole-4-carboxamide

N-(2-ethylsulfanylcyclopentyl)-5-methyl-1H-pyrazole-4-carboxamide (PubChem CID 103727551) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is N-(2-ethylsulfanylcyclopentyl)-5-methyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-ethylsulfanylcyclopentyl)-5-methyl-1H-pyrazole-4-carboxamide
PubChem CID103727551
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC NameN-(2-ethylsulfanylcyclopentyl)-5-methyl-1H-pyrazole-4-carboxamide
SMILESCCSC1CCCC1NC(=O)c1cn[nH]c1C
InChIInChI=1S/C12H19N3OS/c1-3-17-11-6-4-5-10(11)14-12(16)9-7-13-15-8(9)2/h7,10-11H,3-6H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyWUSXGBDOZAKTIZ-UHFFFAOYSA-N
XLogP2.12
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S,2S)-2-hydroxycyclohexyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 104957396
N-[(1R,2R)-2-ethylsulfanylcyclopentyl]-5-methylpyrazine-2-carboxamide
CID 96526700
N-(2-ethylsulfanylcyclopentyl)-4-hydroxy-2-methylbenzamide
CID 103863837
2-bromo-N-(2-ethylsulfanylcyclopentyl)benzamide
CID 113249262
cis-methyl (1R,2S)-2-[(5-methyl-1H-pyrazole-4-carbonyl)amino]cyclohexane-1-carboxylate
CID 97002361
N-(2-ethylsulfanylcyclopentyl)-2,3-difluorobenzamide
CID 103727628
N-(2-ethylsulfanylcyclopentyl)-2,6-dihydroxybenzamide
CID 103892655
N-(2-ethylsulfanylcyclopentyl)-3,5-dihydroxybenzamide
CID 103892654
N-(2-ethylsulfanylcyclopentyl)-4-sulfanylbenzamide
CID 114122127
5-[(2-ethylsulfanylcyclohexyl)carbamoyl]pyrazine-2-carboxylic acid
CID 120689106
N-(2-ethylsulfanylcyclopentyl)-2-hydrazinyl-6-methylpyridine-4-carboxamide
CID 114122098
2-chloro-N-(2-ethylsulfanylcyclopentyl)-6-methylpyrimidine-4-carboxamide
CID 114219706

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfanylcyclopentyl)-5-methyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(2-ethylsulfanylcyclopentyl)-5-methyl-1H-pyrazole-4-carboxamide (CID 103727551) is N-(2-ethylsulfanylcyclopentyl)-5-methyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(2-ethylsulfanylcyclopentyl)-5-methyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(2-ethylsulfanylcyclopentyl)-5-methyl-1H-pyrazole-4-carboxamide is CCSC1CCCC1NC(=O)c1cn[nH]c1C.
What is the InChIKey of N-(2-ethylsulfanylcyclopentyl)-5-methyl-1H-pyrazole-4-carboxamide?
The InChIKey is WUSXGBDOZAKTIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-3-17-11-6-4-5-10(11)14-12(16)9-7-13-15-8(9)2/h7,10-11H,3-6H2,1-2H3,(H,13,15)(H,14,16).
What are the key properties of N-(2-ethylsulfanylcyclopentyl)-5-methyl-1H-pyrazole-4-carboxamide?
N-(2-ethylsulfanylcyclopentyl)-5-methyl-1H-pyrazole-4-carboxamide has a molecular weight of 253.37 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfanylcyclopentyl)-5-methyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 103727551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).