N-(1-carbamothioylcyclopentyl)-1,5-dimethylpyrazole-4-carboxamide

C12H18N4OS — CID 61120127

IUPACN-(1-carbamothioylcyclopentyl)-1,5-dimethylpyrazole-4-carboxamide
SMILESCc1c(C(=O)NC2(C(N)=S)CCCC2)cnn1C
InChIInChI=1S/C12H18N4OS/c1-8-9(7-14-16(8)2)10(17)15-12(11(13)18)5-3-4-6-12/h7H,3-6H2,1-2H3,(H2,13,18)(H,15,17)
InChIKeyXUGNWCAFCDZKCU-UHFFFAOYSA-N
MW266.37 g/mol
LogP1.06
Rot. Bonds3

About N-(1-carbamothioylcyclopentyl)-1,5-dimethylpyrazole-4-carboxamide

N-(1-carbamothioylcyclopentyl)-1,5-dimethylpyrazole-4-carboxamide (PubChem CID 61120127) has the molecular formula C12H18N4OS and a molecular weight of 266.37 g/mol. Its IUPAC name is N-(1-carbamothioylcyclopentyl)-1,5-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-carbamothioylcyclopentyl)-1,5-dimethylpyrazole-4-carboxamide
PubChem CID61120127
Molecular FormulaC12H18N4OS
Molecular Weight266.37 g/mol
Exact Mass266.12
IUPAC NameN-(1-carbamothioylcyclopentyl)-1,5-dimethylpyrazole-4-carboxamide
SMILESCc1c(C(=O)NC2(C(N)=S)CCCC2)cnn1C
InChIInChI=1S/C12H18N4OS/c1-8-9(7-14-16(8)2)10(17)15-12(11(13)18)5-3-4-6-12/h7H,3-6H2,1-2H3,(H2,13,18)(H,15,17)
InChIKeyXUGNWCAFCDZKCU-UHFFFAOYSA-N
XLogP1.06
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 51.06
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-carbamothioylcyclooctyl)-1,3-dimethylpyrazole-4-carboxamide
CID 102801536
N-[1-(chloromethyl)cyclopentyl]-1,5-dimethylpyrazole-4-carboxamide
CID 114300573
N-(1-cyanocyclohexyl)-1,5-dimethylpyrazole-4-carboxamide
CID 60709599
N-(1-carbamothioylcyclopentyl)-3,6-dimethylpyridazine-4-carboxamide
CID 104670382
N-(1-carbamothioylcyclopentyl)pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 103117901
N-(1-carbamothioylcyclopentyl)-2,5-dimethylfuran-3-carboxamide
CID 61119528
N-(3-amino-3-sulfanylidenepropyl)-1,5-dimethylpyrazole-4-carboxamide
CID 62665555
N-(1-carbamothioylcyclohexyl)-2-methylfuran-3-carboxamide
CID 61119738
N-(1-carbamothioylcyclohexyl)-2,4-dimethylbenzamide
CID 61118946
N-(1-carbamothioylcycloheptyl)-2-hydroxy-5-methylbenzamide
CID 61119175
N-(1-carbamothioylcyclohexyl)-2-hydroxy-4-methylbenzamide
CID 61120929
N-(1-carbamothioylcyclohexyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66120336

Frequently Asked Questions

What is the IUPAC name of N-(1-carbamothioylcyclopentyl)-1,5-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-(1-carbamothioylcyclopentyl)-1,5-dimethylpyrazole-4-carboxamide (CID 61120127) is N-(1-carbamothioylcyclopentyl)-1,5-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-(1-carbamothioylcyclopentyl)-1,5-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-(1-carbamothioylcyclopentyl)-1,5-dimethylpyrazole-4-carboxamide is Cc1c(C(=O)NC2(C(N)=S)CCCC2)cnn1C.
What is the InChIKey of N-(1-carbamothioylcyclopentyl)-1,5-dimethylpyrazole-4-carboxamide?
The InChIKey is XUGNWCAFCDZKCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4OS/c1-8-9(7-14-16(8)2)10(17)15-12(11(13)18)5-3-4-6-12/h7H,3-6H2,1-2H3,(H2,13,18)(H,15,17).
What are the key properties of N-(1-carbamothioylcyclopentyl)-1,5-dimethylpyrazole-4-carboxamide?
N-(1-carbamothioylcyclopentyl)-1,5-dimethylpyrazole-4-carboxamide has a molecular weight of 266.37 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-carbamothioylcyclopentyl)-1,5-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 61120127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).