N-(1-carbamothioyl-4-methylcyclohexyl)-3-ethyl-1-methylpyrazole-4-carboxamide

C15H24N4OS — CID 102810478

IUPACN-(1-carbamothioyl-4-methylcyclohexyl)-3-ethyl-1-methylpyrazole-4-carboxamide
SMILESCCc1nn(C)cc1C(=O)NC1(C(N)=S)CCC(C)CC1
InChIInChI=1S/C15H24N4OS/c1-4-12-11(9-19(3)18-12)13(20)17-15(14(16)21)7-5-10(2)6-8-15/h9-10H,4-8H2,1-3H3,(H2,16,21)(H,17,20)
InChIKeyCOZKELZNUDXKHI-UHFFFAOYSA-N
MW308.45 g/mol
LogP1.95
Rot. Bonds4

About N-(1-carbamothioyl-4-methylcyclohexyl)-3-ethyl-1-methylpyrazole-4-carboxamide

N-(1-carbamothioyl-4-methylcyclohexyl)-3-ethyl-1-methylpyrazole-4-carboxamide (PubChem CID 102810478) has the molecular formula C15H24N4OS and a molecular weight of 308.45 g/mol. Its IUPAC name is N-(1-carbamothioyl-4-methylcyclohexyl)-3-ethyl-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-carbamothioyl-4-methylcyclohexyl)-3-ethyl-1-methylpyrazole-4-carboxamide
PubChem CID102810478
Molecular FormulaC15H24N4OS
Molecular Weight308.45 g/mol
Exact Mass308.17
IUPAC NameN-(1-carbamothioyl-4-methylcyclohexyl)-3-ethyl-1-methylpyrazole-4-carboxamide
SMILESCCc1nn(C)cc1C(=O)NC1(C(N)=S)CCC(C)CC1
InChIInChI=1S/C15H24N4OS/c1-4-12-11(9-19(3)18-12)13(20)17-15(14(16)21)7-5-10(2)6-8-15/h9-10H,4-8H2,1-3H3,(H2,16,21)(H,17,20)
InChIKeyCOZKELZNUDXKHI-UHFFFAOYSA-N
XLogP1.95
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(1-cyano-4-methylcyclohexyl)-3-ethyl-1-methylpyrazole-4-carboxamide
CID 102810444
N-(1-carbamothioyl-4-methylcyclohexyl)-4-ethylbenzamide
CID 61121732
N-(1-carbamothioylcyclooctyl)-1,3-dimethylpyrazole-4-carboxamide
CID 102801536
N-(1-carbamothioyl-4-methylcyclohexyl)-3-methylimidazole-4-carboxamide
CID 103510980
N-(1-carbamothioyl-4-methylcyclohexyl)-2,4-difluorobenzamide
CID 61121738
N-(1-carbamothioyl-4-methylcyclohexyl)-3-fluoropyridine-4-carboxamide
CID 64949883
N-[1-(aminomethyl)cyclobutyl]-3-ethyl-1-methylpyrazole-4-carboxamide
CID 102811436
N-(1-carbamothioyl-4-ethylcyclohexyl)-1-methylpyrazole-4-carboxamide
CID 61121809
3-ethyl-1-methyl-N-(3-methylpyrrolidin-3-yl)pyrazole-4-carboxamide
CID 107422800
3-(1-carbamothioyl-4-methylcyclohexyl)-1,1-diethylurea
CID 79161664
2-[1-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]cyclobutyl]acetic acid
CID 102810261
N-(1-cyanocyclopentyl)-3-ethyl-1-methylpyrazole-4-carboxamide
CID 113347472

Frequently Asked Questions

What is the IUPAC name of N-(1-carbamothioyl-4-methylcyclohexyl)-3-ethyl-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-(1-carbamothioyl-4-methylcyclohexyl)-3-ethyl-1-methylpyrazole-4-carboxamide (CID 102810478) is N-(1-carbamothioyl-4-methylcyclohexyl)-3-ethyl-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-(1-carbamothioyl-4-methylcyclohexyl)-3-ethyl-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-(1-carbamothioyl-4-methylcyclohexyl)-3-ethyl-1-methylpyrazole-4-carboxamide is CCc1nn(C)cc1C(=O)NC1(C(N)=S)CCC(C)CC1.
What is the InChIKey of N-(1-carbamothioyl-4-methylcyclohexyl)-3-ethyl-1-methylpyrazole-4-carboxamide?
The InChIKey is COZKELZNUDXKHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4OS/c1-4-12-11(9-19(3)18-12)13(20)17-15(14(16)21)7-5-10(2)6-8-15/h9-10H,4-8H2,1-3H3,(H2,16,21)(H,17,20).
What are the key properties of N-(1-carbamothioyl-4-methylcyclohexyl)-3-ethyl-1-methylpyrazole-4-carboxamide?
N-(1-carbamothioyl-4-methylcyclohexyl)-3-ethyl-1-methylpyrazole-4-carboxamide has a molecular weight of 308.45 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-carbamothioyl-4-methylcyclohexyl)-3-ethyl-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 102810478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).