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

C10H8FN3S — CID 20788051

IUPACN-(4-fluorophenyl)pyrazole-1-carbothioamide
SMILESFc1ccc(NC(=S)n2cccn2)cc1
InChIInChI=1S/C10H8FN3S/c11-8-2-4-9(5-3-8)13-10(15)14-7-1-6-12-14/h1-7H,(H,13,15)
InChIKeyLLDQPCSJSQPHQZ-UHFFFAOYSA-N
MW221.26 g/mol
LogP2.27
Rot. Bonds1

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

N-(4-fluorophenyl)pyrazole-1-carbothioamide (PubChem CID 20788051) has the molecular formula C10H8FN3S and a molecular weight of 221.26 g/mol. Its IUPAC name is N-(4-fluorophenyl)pyrazole-1-carbothioamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)pyrazole-1-carbothioamide
PubChem CID20788051
Molecular FormulaC10H8FN3S
Molecular Weight221.26 g/mol
Exact Mass221.04
IUPAC NameN-(4-fluorophenyl)pyrazole-1-carbothioamide
SMILESFc1ccc(NC(=S)n2cccn2)cc1
InChIInChI=1S/C10H8FN3S/c11-8-2-4-9(5-3-8)13-10(15)14-7-1-6-12-14/h1-7H,(H,13,15)
InChIKeyLLDQPCSJSQPHQZ-UHFFFAOYSA-N
XLogP2.27
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(E)-(1,3-dimethylpyrazol-4-yl)methylideneamino]-3-phenylthiourea
CID 6878515
1-(4-fluorophenyl)-1H-pyrazol-5-amine
CID 12763782
1-(1,3-Dimethylpyrazol-4-yl)-3-(4-fluorophenyl)urea
CID 2811435
1-phenyl-3-[(E)-1-(1H-pyrazol-5-yl)ethylideneamino]thiourea
CID 155563436
1-(2-Fluorophenyl)-1H-pyrazol-3-amine
CID 9990807
3-fluoro-4-(1H-pyrazol-1-yl)aniline
CID 10725981
1-(4-fluorophenyl)-1H-pyrazol-3-amine
CID 13626944
1-(3-fluorophenyl)-1H-pyrazol-5-amine
CID 56604393
1-(2,4-Difluorophenyl)-3-[(1,5-dimethylpyrazol-3-yl)methyl]thiourea
CID 969988
1-(4-Fluorophenyl)-3-(1-pyrazol-1-ylpropan-2-yl)urea
CID 45814217
2-Fluoro-4-(1h-pyrazol-1-yl)aniline
CID 57471888
1-(3-Fluorophenyl)-1H-pyrazole-3-ethanamine
CID 47003264

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)pyrazole-1-carbothioamide?
The IUPAC name of N-(4-fluorophenyl)pyrazole-1-carbothioamide (CID 20788051) is N-(4-fluorophenyl)pyrazole-1-carbothioamide.
What is the SMILES notation for N-(4-fluorophenyl)pyrazole-1-carbothioamide?
The canonical SMILES for N-(4-fluorophenyl)pyrazole-1-carbothioamide is Fc1ccc(NC(=S)n2cccn2)cc1.
What is the InChIKey of N-(4-fluorophenyl)pyrazole-1-carbothioamide?
The InChIKey is LLDQPCSJSQPHQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FN3S/c11-8-2-4-9(5-3-8)13-10(15)14-7-1-6-12-14/h1-7H,(H,13,15).
What are the key properties of N-(4-fluorophenyl)pyrazole-1-carbothioamide?
N-(4-fluorophenyl)pyrazole-1-carbothioamide has a molecular weight of 221.26 g/mol, XLogP of 2.27, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)pyrazole-1-carbothioamide is sourced from PubChem (CID 20788051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).