1-[2-(2-fluorophenyl)sulfanylethyl]pyrazol-4-amine

C11H12FN3S — CID 62138276

IUPAC1-[2-(2-fluorophenyl)sulfanylethyl]pyrazol-4-amine
SMILESNc1cnn(CCSc2ccccc2F)c1
InChIInChI=1S/C11H12FN3S/c12-10-3-1-2-4-11(10)16-6-5-15-8-9(13)7-14-15/h1-4,7-8H,5-6,13H2
InChIKeyJFAKGPUHSXIGBJ-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.40
Rot. Bonds4

About 1-[2-(2-fluorophenyl)sulfanylethyl]pyrazol-4-amine

1-[2-(2-fluorophenyl)sulfanylethyl]pyrazol-4-amine (PubChem CID 62138276) has the molecular formula C11H12FN3S and a molecular weight of 237.30 g/mol. Its IUPAC name is 1-[2-(2-fluorophenyl)sulfanylethyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-[2-(2-fluorophenyl)sulfanylethyl]pyrazol-4-amine
PubChem CID62138276
Molecular FormulaC11H12FN3S
Molecular Weight237.30 g/mol
Exact Mass237.07
IUPAC Name1-[2-(2-fluorophenyl)sulfanylethyl]pyrazol-4-amine
SMILESNc1cnn(CCSc2ccccc2F)c1
InChIInChI=1S/C11H12FN3S/c12-10-3-1-2-4-11(10)16-6-5-15-8-9(13)7-14-15/h1-4,7-8H,5-6,13H2
InChIKeyJFAKGPUHSXIGBJ-UHFFFAOYSA-N
XLogP2.40
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(benzenesulfonyl)ethyl]-1-pyrazol-1-ylpropan-2-amine
CID 53554661
N-[2-(benzenesulfonyl)ethyl]-2-pyrazol-1-ylethanamine
CID 53618553
3-(benzenesulfonyl)-N-(2-pyrazol-1-ylethyl)propan-1-amine
CID 72140794
2-Fluoro-4-(1-methylpyrazol-4-yl)sulfanylaniline
CID 171087475
4-[(2-Fluorophenyl)sulfanylmethyl]-1-methylpyrazole
CID 176210190
2,2-difluoro-N-[1-(phenylsulfanylmethyl)pyrazol-4-yl]acetamide
CID 3676519
n-(1-Ethyl-1h-pyrazol-4-yl)-2-fluorobenzenesulfonamide
CID 31912908
N-(1-ethylpyrazol-4-yl)-3,4-difluorobenzenesulfonamide
CID 31912923
N-(1-ethylpyrazol-4-yl)-3-fluorobenzenesulfonamide
CID 31912941
N-(1-ethylpyrazol-4-yl)-4-fluorobenzenesulfonamide
CID 31912944
N-(1-ethylpyrazol-4-yl)-2,4-difluorobenzenesulfonamide
CID 31912947
N-(1-ethylpyrazol-4-yl)-2,5-difluorobenzenesulfonamide
CID 31913077

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluorophenyl)sulfanylethyl]pyrazol-4-amine?
The IUPAC name of 1-[2-(2-fluorophenyl)sulfanylethyl]pyrazol-4-amine (CID 62138276) is 1-[2-(2-fluorophenyl)sulfanylethyl]pyrazol-4-amine.
What is the SMILES notation for 1-[2-(2-fluorophenyl)sulfanylethyl]pyrazol-4-amine?
The canonical SMILES for 1-[2-(2-fluorophenyl)sulfanylethyl]pyrazol-4-amine is Nc1cnn(CCSc2ccccc2F)c1.
What is the InChIKey of 1-[2-(2-fluorophenyl)sulfanylethyl]pyrazol-4-amine?
The InChIKey is JFAKGPUHSXIGBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3S/c12-10-3-1-2-4-11(10)16-6-5-15-8-9(13)7-14-15/h1-4,7-8H,5-6,13H2.
What are the key properties of 1-[2-(2-fluorophenyl)sulfanylethyl]pyrazol-4-amine?
1-[2-(2-fluorophenyl)sulfanylethyl]pyrazol-4-amine has a molecular weight of 237.30 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluorophenyl)sulfanylethyl]pyrazol-4-amine is sourced from PubChem (CID 62138276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).