5-amino-1-ethyl-3-methylpyrazole-4-carbothioamide

C7H12N4S — CID 13496612

IUPAC5-amino-1-ethyl-3-methylpyrazole-4-carbothioamide
SMILESCCn1nc(C)c(C(N)=S)c1N
InChIInChI=1S/C7H12N4S/c1-3-11-6(8)5(7(9)12)4(2)10-11/h3,8H2,1-2H3,(H2,9,12)
InChIKeyVNCOZIZXCGDTDU-UHFFFAOYSA-N
MW184.27 g/mol
LogP0.43
Rot. Bonds2

About 5-amino-1-ethyl-3-methylpyrazole-4-carbothioamide

5-amino-1-ethyl-3-methylpyrazole-4-carbothioamide (PubChem CID 13496612) has the molecular formula C7H12N4S and a molecular weight of 184.27 g/mol. Its IUPAC name is 5-amino-1-ethyl-3-methylpyrazole-4-carbothioamide.

Molecular Properties

Compound Name5-amino-1-ethyl-3-methylpyrazole-4-carbothioamide
PubChem CID13496612
Molecular FormulaC7H12N4S
Molecular Weight184.27 g/mol
Exact Mass184.08
IUPAC Name5-amino-1-ethyl-3-methylpyrazole-4-carbothioamide
SMILESCCn1nc(C)c(C(N)=S)c1N
InChIInChI=1S/C7H12N4S/c1-3-11-6(8)5(7(9)12)4(2)10-11/h3,8H2,1-2H3,(H2,9,12)
InChIKeyVNCOZIZXCGDTDU-UHFFFAOYSA-N
XLogP0.43
TPSA69.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.27
LogP ≤ 50.43
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

5-amino-1,3-dimethyl-1H-pyrazole-4-carbonitrile
CID 219870
2,4,5-trimethyl-2,3-dihydro-1H-pyrazol-3-imine
CID 4737030
3-amino-1,5-dimethyl-1H-pyrazole-4-carbonitrile
CID 22222305
1,4-dimethyl-3-(trifluoromethyl)-1H-pyrazol-5-amine
CID 33783361
4-ethyl-1,3-dimethyl-1H-pyrazol-5-amine
CID 6484241
5-Amino-3-methyl-1-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carbonitrile
CID 22079581
2-Ethyl-4-methyl-5-(trifluoromethyl)pyrazol-3-amine
CID 118153032
1,3-dimethyl-N-(methyldiazenyl)-4-(trifluoromethyl)pyrazol-5-amine
CID 163864599
5-Amino-1-tert-butyl-3-methylpyrazole-4-carbothioamide
CID 13496611
5-Amino-1,3-dimethylpyrazole-4-carbothioamide
CID 13496613
1,3-Dimethyl-4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]pyrazol-5-amine
CID 55046221
4-[[Ethyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-dimethylpyrazol-5-amine
CID 55046268

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-ethyl-3-methylpyrazole-4-carbothioamide?
The IUPAC name of 5-amino-1-ethyl-3-methylpyrazole-4-carbothioamide (CID 13496612) is 5-amino-1-ethyl-3-methylpyrazole-4-carbothioamide.
What is the SMILES notation for 5-amino-1-ethyl-3-methylpyrazole-4-carbothioamide?
The canonical SMILES for 5-amino-1-ethyl-3-methylpyrazole-4-carbothioamide is CCn1nc(C)c(C(N)=S)c1N.
What is the InChIKey of 5-amino-1-ethyl-3-methylpyrazole-4-carbothioamide?
The InChIKey is VNCOZIZXCGDTDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4S/c1-3-11-6(8)5(7(9)12)4(2)10-11/h3,8H2,1-2H3,(H2,9,12).
What are the key properties of 5-amino-1-ethyl-3-methylpyrazole-4-carbothioamide?
5-amino-1-ethyl-3-methylpyrazole-4-carbothioamide has a molecular weight of 184.27 g/mol, XLogP of 0.43, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-ethyl-3-methylpyrazole-4-carbothioamide is sourced from PubChem (CID 13496612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).