3-amino-N-(4-fluorophenyl)pyrazole-1-carbothioamide

C10H9FN4S — CID 146506908

IUPAC3-amino-N-(4-fluorophenyl)pyrazole-1-carbothioamide
SMILESNc1ccn(C(=S)Nc2ccc(F)cc2)n1
InChIInChI=1S/C10H9FN4S/c11-7-1-3-8(4-2-7)13-10(16)15-6-5-9(12)14-15/h1-6H,(H2,12,14)(H,13,16)
InChIKeyZHAGQVZBRYVOOK-UHFFFAOYSA-N
MW236.28 g/mol
LogP1.85
Rot. Bonds1

About 3-amino-N-(4-fluorophenyl)pyrazole-1-carbothioamide

3-amino-N-(4-fluorophenyl)pyrazole-1-carbothioamide (PubChem CID 146506908) has the molecular formula C10H9FN4S and a molecular weight of 236.28 g/mol. Its IUPAC name is 3-amino-N-(4-fluorophenyl)pyrazole-1-carbothioamide.

Molecular Properties

Compound Name3-amino-N-(4-fluorophenyl)pyrazole-1-carbothioamide
PubChem CID146506908
Molecular FormulaC10H9FN4S
Molecular Weight236.28 g/mol
Exact Mass236.05
IUPAC Name3-amino-N-(4-fluorophenyl)pyrazole-1-carbothioamide
SMILESNc1ccn(C(=S)Nc2ccc(F)cc2)n1
InChIInChI=1S/C10H9FN4S/c11-7-1-3-8(4-2-7)13-10(16)15-6-5-9(12)14-15/h1-6H,(H2,12,14)(H,13,16)
InChIKeyZHAGQVZBRYVOOK-UHFFFAOYSA-N
XLogP1.85
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-amino-N-(4-fluorophenyl)pyrazole-1-carbothioamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-N-(4-nitrophenyl)pyrazole-1-carbothioamide
CID 146507002
3-amino-N-(2,4-dichlorophenyl)pyrazole-1-carbothioamide
CID 146506906
1-(4-fluorophenyl)-3-(1,2,4-triazol-4-yl)thiourea
CID 8655631
N-(4-fluorophenyl)-4-hydroxypiperidine-1-carbothioamide
CID 942767
N-(4-chlorophenyl)-3-nitropyrazole-1-carbothioamide
CID 146507212
ethyl 1-[(4-chlorophenyl)carbamothioyl]pyrazole-3-carboxylate
CID 146506946
N-(4-fluorophenyl)pyrazole-1-carboxamide
CID 3631055
1-(carbamothioylamino)-3-(4-fluorophenyl)thiourea
CID 681193
4-fluoro-N-(1-pyrazol-1-ylethenyl)aniline
CID 166956588
N-(4-fluorophenyl)-4-methyl-1,4-diazepane-1-carbothioamide
CID 8624615
6-amino-N-(4-fluorophenyl)pyridazine-3-carboxamide
CID 62155228
1-(4-fluorophenyl)-3-[6-[(4-fluorophenyl)carbamothioylamino]-2-pyridinyl]thiourea
CID 2731256

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-fluorophenyl)pyrazole-1-carbothioamide?
The IUPAC name of 3-amino-N-(4-fluorophenyl)pyrazole-1-carbothioamide (CID 146506908) is 3-amino-N-(4-fluorophenyl)pyrazole-1-carbothioamide.
What is the SMILES notation for 3-amino-N-(4-fluorophenyl)pyrazole-1-carbothioamide?
The canonical SMILES for 3-amino-N-(4-fluorophenyl)pyrazole-1-carbothioamide is Nc1ccn(C(=S)Nc2ccc(F)cc2)n1.
What is the InChIKey of 3-amino-N-(4-fluorophenyl)pyrazole-1-carbothioamide?
The InChIKey is ZHAGQVZBRYVOOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN4S/c11-7-1-3-8(4-2-7)13-10(16)15-6-5-9(12)14-15/h1-6H,(H2,12,14)(H,13,16).
What are the key properties of 3-amino-N-(4-fluorophenyl)pyrazole-1-carbothioamide?
3-amino-N-(4-fluorophenyl)pyrazole-1-carbothioamide has a molecular weight of 236.28 g/mol, XLogP of 1.85, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-fluorophenyl)pyrazole-1-carbothioamide is sourced from PubChem (CID 146506908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).