1-[2-(3,4-difluorophenyl)sulfanylethyl]pyrazol-4-amine

C11H11F2N3S — CID 62137360

IUPAC1-[2-(3,4-difluorophenyl)sulfanylethyl]pyrazol-4-amine
SMILESNc1cnn(CCSc2ccc(F)c(F)c2)c1
InChIInChI=1S/C11H11F2N3S/c12-10-2-1-9(5-11(10)13)17-4-3-16-7-8(14)6-15-16/h1-2,5-7H,3-4,14H2
InChIKeyZQUIGLMFTNUMHY-UHFFFAOYSA-N
MW255.29 g/mol
LogP2.54
Rot. Bonds4

About 1-[2-(3,4-difluorophenyl)sulfanylethyl]pyrazol-4-amine

1-[2-(3,4-difluorophenyl)sulfanylethyl]pyrazol-4-amine (PubChem CID 62137360) has the molecular formula C11H11F2N3S and a molecular weight of 255.29 g/mol. Its IUPAC name is 1-[2-(3,4-difluorophenyl)sulfanylethyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-[2-(3,4-difluorophenyl)sulfanylethyl]pyrazol-4-amine
PubChem CID62137360
Molecular FormulaC11H11F2N3S
Molecular Weight255.29 g/mol
Exact Mass255.06
IUPAC Name1-[2-(3,4-difluorophenyl)sulfanylethyl]pyrazol-4-amine
SMILESNc1cnn(CCSc2ccc(F)c(F)c2)c1
InChIInChI=1S/C11H11F2N3S/c12-10-2-1-9(5-11(10)13)17-4-3-16-7-8(14)6-15-16/h1-2,5-7H,3-4,14H2
InChIKeyZQUIGLMFTNUMHY-UHFFFAOYSA-N
XLogP2.54
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 52.54
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-(3,4-difluorophenyl)sulfanylethyl]pyrazol-4-amine?
The IUPAC name of 1-[2-(3,4-difluorophenyl)sulfanylethyl]pyrazol-4-amine (CID 62137360) is 1-[2-(3,4-difluorophenyl)sulfanylethyl]pyrazol-4-amine.
What is the SMILES notation for 1-[2-(3,4-difluorophenyl)sulfanylethyl]pyrazol-4-amine?
The canonical SMILES for 1-[2-(3,4-difluorophenyl)sulfanylethyl]pyrazol-4-amine is Nc1cnn(CCSc2ccc(F)c(F)c2)c1.
What is the InChIKey of 1-[2-(3,4-difluorophenyl)sulfanylethyl]pyrazol-4-amine?
The InChIKey is ZQUIGLMFTNUMHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3S/c12-10-2-1-9(5-11(10)13)17-4-3-16-7-8(14)6-15-16/h1-2,5-7H,3-4,14H2.
What are the key properties of 1-[2-(3,4-difluorophenyl)sulfanylethyl]pyrazol-4-amine?
1-[2-(3,4-difluorophenyl)sulfanylethyl]pyrazol-4-amine has a molecular weight of 255.29 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-difluorophenyl)sulfanylethyl]pyrazol-4-amine is sourced from PubChem (CID 62137360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).