N-(1-carbamothioylcyclohexyl)-3-ethyl-1-methylpyrazole-5-carboxamide

C14H22N4OS — CID 66120336

IUPACN-(1-carbamothioylcyclohexyl)-3-ethyl-1-methylpyrazole-5-carboxamide
SMILESCCc1cc(C(=O)NC2(C(N)=S)CCCCC2)n(C)n1
InChIInChI=1S/C14H22N4OS/c1-3-10-9-11(18(2)17-10)12(19)16-14(13(15)20)7-5-4-6-8-14/h9H,3-8H2,1-2H3,(H2,15,20)(H,16,19)
InChIKeyRCYBVBNRASVQKZ-UHFFFAOYSA-N
MW294.42 g/mol
LogP1.70
Rot. Bonds4

About N-(1-carbamothioylcyclohexyl)-3-ethyl-1-methylpyrazole-5-carboxamide

N-(1-carbamothioylcyclohexyl)-3-ethyl-1-methylpyrazole-5-carboxamide (PubChem CID 66120336) has the molecular formula C14H22N4OS and a molecular weight of 294.42 g/mol. Its IUPAC name is N-(1-carbamothioylcyclohexyl)-3-ethyl-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-carbamothioylcyclohexyl)-3-ethyl-1-methylpyrazole-5-carboxamide
PubChem CID66120336
Molecular FormulaC14H22N4OS
Molecular Weight294.42 g/mol
Exact Mass294.15
IUPAC NameN-(1-carbamothioylcyclohexyl)-3-ethyl-1-methylpyrazole-5-carboxamide
SMILESCCc1cc(C(=O)NC2(C(N)=S)CCCCC2)n(C)n1
InChIInChI=1S/C14H22N4OS/c1-3-10-9-11(18(2)17-10)12(19)16-14(13(15)20)7-5-4-6-8-14/h9H,3-8H2,1-2H3,(H2,15,20)(H,16,19)
InChIKeyRCYBVBNRASVQKZ-UHFFFAOYSA-N
XLogP1.70
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 51.70
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

3-ethyl-N-[(1-hydroxycyclopentyl)methyl]-1-methylpyrazole-5-carboxamide
CID 66121924
N-[[1-(aminomethyl)cyclohexyl]methyl]-3-ethyl-1-methylpyrazole-5-carboxamide
CID 103970100
N-(1-carbamothioylcyclooctyl)-1,3-dimethylpyrazole-4-carboxamide
CID 102801536
N-[[1-(chloromethyl)cyclohexyl]methyl]-3-ethyl-1-methylpyrazole-5-carboxamide
CID 103969422
[(3-ethyl-1-methylpyrazole-5-carbonyl)amino]urea
CID 66120179
3-ethyl-1-methylpyrazole-5-carboxamide
CID 66119758
1-[[(3-ethyl-1-methylpyrazole-5-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 115433032
3-ethyl-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1-methylpyrazole-5-carboxamide
CID 113313377
N-(1-carbamothioylcyclopentyl)-1,5-dimethylpyrazole-4-carboxamide
CID 61120127
3-ethyl-1-methylpyrazole-5-carboxylic acid
CID 820565
N-(4-carbamothioyl-1-methylpiperidin-4-yl)-2-ethyl-5-methylpyrazole-3-carboxamide
CID 66126538
cyclohexyl-(3-ethyl-1-methylpyrazol-5-yl)methanone
CID 105076841

Frequently Asked Questions

What is the IUPAC name of N-(1-carbamothioylcyclohexyl)-3-ethyl-1-methylpyrazole-5-carboxamide?
The IUPAC name of N-(1-carbamothioylcyclohexyl)-3-ethyl-1-methylpyrazole-5-carboxamide (CID 66120336) is N-(1-carbamothioylcyclohexyl)-3-ethyl-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for N-(1-carbamothioylcyclohexyl)-3-ethyl-1-methylpyrazole-5-carboxamide?
The canonical SMILES for N-(1-carbamothioylcyclohexyl)-3-ethyl-1-methylpyrazole-5-carboxamide is CCc1cc(C(=O)NC2(C(N)=S)CCCCC2)n(C)n1.
What is the InChIKey of N-(1-carbamothioylcyclohexyl)-3-ethyl-1-methylpyrazole-5-carboxamide?
The InChIKey is RCYBVBNRASVQKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4OS/c1-3-10-9-11(18(2)17-10)12(19)16-14(13(15)20)7-5-4-6-8-14/h9H,3-8H2,1-2H3,(H2,15,20)(H,16,19).
What are the key properties of N-(1-carbamothioylcyclohexyl)-3-ethyl-1-methylpyrazole-5-carboxamide?
N-(1-carbamothioylcyclohexyl)-3-ethyl-1-methylpyrazole-5-carboxamide has a molecular weight of 294.42 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-carbamothioylcyclohexyl)-3-ethyl-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 66120336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).