N-cyclopentyl-5-phenyl-3,4-dihydropyrazole-2-carbothioamide

C15H19N3S — CID 11708855

IUPACN-cyclopentyl-5-phenyl-3,4-dihydropyrazole-2-carbothioamide
SMILESS=C(NC1CCCC1)N1CCC(c2ccccc2)=N1
InChIInChI=1S/C15H19N3S/c19-15(16-13-8-4-5-9-13)18-11-10-14(17-18)12-6-2-1-3-7-12/h1-3,6-7,13H,4-5,8-11H2,(H,16,19)
InChIKeyLYESJJJAHGGYHG-UHFFFAOYSA-N
MW273.40 g/mol
LogP2.91
Rot. Bonds2

About N-cyclopentyl-5-phenyl-3,4-dihydropyrazole-2-carbothioamide

N-cyclopentyl-5-phenyl-3,4-dihydropyrazole-2-carbothioamide (PubChem CID 11708855) has the molecular formula C15H19N3S and a molecular weight of 273.40 g/mol. Its IUPAC name is N-cyclopentyl-5-phenyl-3,4-dihydropyrazole-2-carbothioamide.

Molecular Properties

Compound NameN-cyclopentyl-5-phenyl-3,4-dihydropyrazole-2-carbothioamide
PubChem CID11708855
Molecular FormulaC15H19N3S
Molecular Weight273.40 g/mol
Exact Mass273.13
IUPAC NameN-cyclopentyl-5-phenyl-3,4-dihydropyrazole-2-carbothioamide
SMILESS=C(NC1CCCC1)N1CCC(c2ccccc2)=N1
InChIInChI=1S/C15H19N3S/c19-15(16-13-8-4-5-9-13)18-11-10-14(17-18)12-6-2-1-3-7-12/h1-3,6-7,13H,4-5,8-11H2,(H,16,19)
InChIKeyLYESJJJAHGGYHG-UHFFFAOYSA-N
XLogP2.91
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopentyl-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide
CID 18106168
N-cyclohexyl-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide
CID 18108648
N-cycloheptyl-3-[4-[2-(cycloheptylcarbamothioyl)-5-phenyl-3,4-dihydropyrazol-3-yl]phenyl]-5-phenyl-3,4-dihydropyrazole-2-carbothioamide
CID 25197547
N-cyclopentyl-4-phenylpiperazine-1-carbothioamide
CID 892113
2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone
CID 128950944
N'-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethoxy]cyclopentanecarboximidamide
CID 126816766
4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)-N-[2-(trifluoromethyl)cyclohexyl]butanamide
CID 43047747
N-cyclopentyl-2,3-dihydroindole-1-carbothioamide
CID 19686662
N-cyclopropyl-2-[[4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoyl]amino]benzamide
CID 30656166
2-[4-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-1,4-diazepan-1-yl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone
CID 31313586
N-cyclopentyl-2-[2-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)ethylamino]propanamide
CID 50970834
N-cyclopentyl-4-methyl-2,3-dihydroquinoxaline-1-carbothioamide
CID 116508696

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-5-phenyl-3,4-dihydropyrazole-2-carbothioamide?
The IUPAC name of N-cyclopentyl-5-phenyl-3,4-dihydropyrazole-2-carbothioamide (CID 11708855) is N-cyclopentyl-5-phenyl-3,4-dihydropyrazole-2-carbothioamide.
What is the SMILES notation for N-cyclopentyl-5-phenyl-3,4-dihydropyrazole-2-carbothioamide?
The canonical SMILES for N-cyclopentyl-5-phenyl-3,4-dihydropyrazole-2-carbothioamide is S=C(NC1CCCC1)N1CCC(c2ccccc2)=N1.
What is the InChIKey of N-cyclopentyl-5-phenyl-3,4-dihydropyrazole-2-carbothioamide?
The InChIKey is LYESJJJAHGGYHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3S/c19-15(16-13-8-4-5-9-13)18-11-10-14(17-18)12-6-2-1-3-7-12/h1-3,6-7,13H,4-5,8-11H2,(H,16,19).
What are the key properties of N-cyclopentyl-5-phenyl-3,4-dihydropyrazole-2-carbothioamide?
N-cyclopentyl-5-phenyl-3,4-dihydropyrazole-2-carbothioamide has a molecular weight of 273.40 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-5-phenyl-3,4-dihydropyrazole-2-carbothioamide is sourced from PubChem (CID 11708855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).