1-ethyl-4-(2-phenylethylcarbamothioylamino)pyrazole-5-carboxamide

C15H19N5OS — CID 971185

IUPAC1-ethyl-4-(2-phenylethylcarbamothioylamino)pyrazole-5-carboxamide
SMILESCCn1ncc(NC(=S)NCCc2ccccc2)c1C(N)=O
InChIInChI=1S/C15H19N5OS/c1-2-20-13(14(16)21)12(10-18-20)19-15(22)17-9-8-11-6-4-3-5-7-11/h3-7,10H,2,8-9H2,1H3,(H2,16,21)(H2,17,19,22)
InChIKeyFOGHUQXOINFYBB-UHFFFAOYSA-N
MW317.42 g/mol
LogP1.53
Rot. Bonds6

About 1-ethyl-4-(2-phenylethylcarbamothioylamino)pyrazole-5-carboxamide

1-ethyl-4-(2-phenylethylcarbamothioylamino)pyrazole-5-carboxamide (PubChem CID 971185) has the molecular formula C15H19N5OS and a molecular weight of 317.42 g/mol. Its IUPAC name is 1-ethyl-4-(2-phenylethylcarbamothioylamino)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-ethyl-4-(2-phenylethylcarbamothioylamino)pyrazole-5-carboxamide
PubChem CID971185
Molecular FormulaC15H19N5OS
Molecular Weight317.42 g/mol
Exact Mass317.13
IUPAC Name1-ethyl-4-(2-phenylethylcarbamothioylamino)pyrazole-5-carboxamide
SMILESCCn1ncc(NC(=S)NCCc2ccccc2)c1C(N)=O
InChIInChI=1S/C15H19N5OS/c1-2-20-13(14(16)21)12(10-18-20)19-15(22)17-9-8-11-6-4-3-5-7-11/h3-7,10H,2,8-9H2,1H3,(H2,16,21)(H2,17,19,22)
InChIKeyFOGHUQXOINFYBB-UHFFFAOYSA-N
XLogP1.53
TPSA84.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.42
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-N-(2-methylphenyl)-4-nitro-1H-pyrazole-5-carboxamide
CID 920251
N-benzyl-1-methyl-4-nitro-1H-pyrazole-5-carboxamide
CID 747520
1-methyl-N-(3-methylphenyl)-4-nitro-1H-pyrazole-5-carboxamide
CID 747864
4-[(E)-[[4-(Dimethylamino)phenyl]methylene]amino]-1-methyl-1H-pyrazole-5-carboxamide
CID 657799
1-[[(1,3-Dimethyl-4-pyrazolyl)-oxomethyl]amino]-3-(4-methylphenyl)thiourea
CID 842630
5-Methyl-3-m-tolyl-3,5-dihydro-pyrazolo[4,3-d][1,2,3]triazin-4-one
CID 1908604
2-benzyl-5-methyl-6H-pyrazolo[4,3-d]pyrimidin-7-one
CID 137175277
4-amino-N-ethyl-2-methyl-N-phenylpyrazole-3-carboxamide
CID 3112957
2-(1-methyl-5,7-dioxo-6-(p-tolyl)-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-4(5H)-yl)-N-(p-tolyl)acetamide
CID 15988243
4-amino-2-methyl-N-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 655172
2-[1-methyl-6-(4-methylphenyl)-5,7-dioxo-1H,4H,5H,6H,7H-pyrazolo[4,3-d]pyrimidin-4-yl]-N-(2-methylphenyl)acetamide
CID 15988249
N-[(2-ethylphenyl)carbamothioyl]-1-methylpyrazole-4-carboxamide
CID 56935762

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(2-phenylethylcarbamothioylamino)pyrazole-5-carboxamide?
The IUPAC name of 1-ethyl-4-(2-phenylethylcarbamothioylamino)pyrazole-5-carboxamide (CID 971185) is 1-ethyl-4-(2-phenylethylcarbamothioylamino)pyrazole-5-carboxamide.
What is the SMILES notation for 1-ethyl-4-(2-phenylethylcarbamothioylamino)pyrazole-5-carboxamide?
The canonical SMILES for 1-ethyl-4-(2-phenylethylcarbamothioylamino)pyrazole-5-carboxamide is CCn1ncc(NC(=S)NCCc2ccccc2)c1C(N)=O.
What is the InChIKey of 1-ethyl-4-(2-phenylethylcarbamothioylamino)pyrazole-5-carboxamide?
The InChIKey is FOGHUQXOINFYBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5OS/c1-2-20-13(14(16)21)12(10-18-20)19-15(22)17-9-8-11-6-4-3-5-7-11/h3-7,10H,2,8-9H2,1H3,(H2,16,21)(H2,17,19,22).
What are the key properties of 1-ethyl-4-(2-phenylethylcarbamothioylamino)pyrazole-5-carboxamide?
1-ethyl-4-(2-phenylethylcarbamothioylamino)pyrazole-5-carboxamide has a molecular weight of 317.42 g/mol, XLogP of 1.53, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(2-phenylethylcarbamothioylamino)pyrazole-5-carboxamide is sourced from PubChem (CID 971185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).