1-(3-fluorophenyl)-5-methylpyrazole-4-carbothioamide

C11H10FN3S — CID 82528370

IUPAC1-(3-fluorophenyl)-5-methylpyrazole-4-carbothioamide
SMILESCc1c(C(N)=S)cnn1-c1cccc(F)c1
InChIInChI=1S/C11H10FN3S/c1-7-10(11(13)16)6-14-15(7)9-4-2-3-8(12)5-9/h2-6H,1H3,(H2,13,16)
InChIKeyMYAYUYAPQWVQOV-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.95
Rot. Bonds2

About 1-(3-fluorophenyl)-5-methylpyrazole-4-carbothioamide

1-(3-fluorophenyl)-5-methylpyrazole-4-carbothioamide (PubChem CID 82528370) has the molecular formula C11H10FN3S and a molecular weight of 235.29 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-5-methylpyrazole-4-carbothioamide.

Molecular Properties

Compound Name1-(3-fluorophenyl)-5-methylpyrazole-4-carbothioamide
PubChem CID82528370
Molecular FormulaC11H10FN3S
Molecular Weight235.29 g/mol
Exact Mass235.06
IUPAC Name1-(3-fluorophenyl)-5-methylpyrazole-4-carbothioamide
SMILESCc1c(C(N)=S)cnn1-c1cccc(F)c1
InChIInChI=1S/C11H10FN3S/c1-7-10(11(13)16)6-14-15(7)9-4-2-3-8(12)5-9/h2-6H,1H3,(H2,13,16)
InChIKeyMYAYUYAPQWVQOV-UHFFFAOYSA-N
XLogP1.95
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(3-fluorophenyl)-5-methylpyrazole-4-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

1-(4-chlorophenyl)-5-methylpyrazole-4-carbothioamide
CID 82528276
1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]ethanamine;hydrochloride
CID 154896679
4-(chloromethyl)-1-(3-fluorophenyl)-5-methylpyrazole
CID 66437732
N-[(3-fluorophenyl)methyl]-5-methyl-1-phenylpyrazole-4-carboxamide
CID 94048318
5-bromo-1-(3-fluorophenyl)pyrazol-4-amine
CID 115047672
5-(4-fluorophenyl)-1-phenylpyrazole-4-carbothioamide
CID 90184500
ethyl 5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxylate
CID 54513433
1-(3-fluorophenyl)indazol-6-ol
CID 136699638
N-(3,5-difluorophenyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 18290570
1-(2,5-dimethoxyphenyl)-5-methylpyrazole-4-carbothioamide
CID 82527837
4-bromo-2-(3-fluorophenyl)-5-methylpyridazin-3-one
CID 13187397
N-[(4-fluorophenyl)methyl]-5-methyl-1-(3-methylphenyl)pyrazole-4-carboxamide
CID 36747874

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-5-methylpyrazole-4-carbothioamide?
The IUPAC name of 1-(3-fluorophenyl)-5-methylpyrazole-4-carbothioamide (CID 82528370) is 1-(3-fluorophenyl)-5-methylpyrazole-4-carbothioamide.
What is the SMILES notation for 1-(3-fluorophenyl)-5-methylpyrazole-4-carbothioamide?
The canonical SMILES for 1-(3-fluorophenyl)-5-methylpyrazole-4-carbothioamide is Cc1c(C(N)=S)cnn1-c1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-5-methylpyrazole-4-carbothioamide?
The InChIKey is MYAYUYAPQWVQOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3S/c1-7-10(11(13)16)6-14-15(7)9-4-2-3-8(12)5-9/h2-6H,1H3,(H2,13,16).
What are the key properties of 1-(3-fluorophenyl)-5-methylpyrazole-4-carbothioamide?
1-(3-fluorophenyl)-5-methylpyrazole-4-carbothioamide has a molecular weight of 235.29 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-5-methylpyrazole-4-carbothioamide is sourced from PubChem (CID 82528370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).