4-(3,5-difluorophenyl)-5-thiophen-2-yl-1H-pyrazol-3-amine

C13H9F2N3S — CID 61496475

IUPAC4-(3,5-difluorophenyl)-5-thiophen-2-yl-1H-pyrazol-3-amine
SMILESNc1n[nH]c(-c2cccs2)c1-c1cc(F)cc(F)c1
InChIInChI=1S/C13H9F2N3S/c14-8-4-7(5-9(15)6-8)11-12(17-18-13(11)16)10-2-1-3-19-10/h1-6H,(H3,16,17,18)
InChIKeyRYEMEXPDRPYZEI-UHFFFAOYSA-N
MW277.30 g/mol
LogP3.67
Rot. Bonds2

About 4-(3,5-difluorophenyl)-5-thiophen-2-yl-1H-pyrazol-3-amine

4-(3,5-difluorophenyl)-5-thiophen-2-yl-1H-pyrazol-3-amine (PubChem CID 61496475) has the molecular formula C13H9F2N3S and a molecular weight of 277.30 g/mol. Its IUPAC name is 4-(3,5-difluorophenyl)-5-thiophen-2-yl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-(3,5-difluorophenyl)-5-thiophen-2-yl-1H-pyrazol-3-amine
PubChem CID61496475
Molecular FormulaC13H9F2N3S
Molecular Weight277.30 g/mol
Exact Mass277.05
IUPAC Name4-(3,5-difluorophenyl)-5-thiophen-2-yl-1H-pyrazol-3-amine
SMILESNc1n[nH]c(-c2cccs2)c1-c1cc(F)cc(F)c1
InChIInChI=1S/C13H9F2N3S/c14-8-4-7(5-9(15)6-8)11-12(17-18-13(11)16)10-2-1-3-19-10/h1-6H,(H3,16,17,18)
InChIKeyRYEMEXPDRPYZEI-UHFFFAOYSA-N
XLogP3.67
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3,5-difluorophenyl)-5-thiophen-2-yl-1,2-oxazol-3-amine
CID 66203231
4-(2-chloro-6-fluorophenyl)-5-thiophen-2-yl-1H-pyrazol-3-amine
CID 43334983
4-thiophen-2-yl-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine
CID 62501709
4-(3,5-difluorophenyl)-5-pyridin-2-yl-1H-pyrazol-3-amine
CID 62823198
5-(3-fluoro-4-methoxyphenyl)-4-thiophen-2-yl-1H-pyrazol-3-amine
CID 62920733
5-(3-chloro-5-methylphenyl)-4-thiophen-2-yl-1H-pyrazol-3-amine
CID 81322945
5-(2-fluoro-5-methylphenyl)-4-thiophen-2-yl-1H-pyrazol-3-amine
CID 62516545
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-thiophen-2-yl-1H-pyrazol-3-amine
CID 62502031
5-(3-bromothiophen-2-yl)-4-(4-fluorophenyl)-1H-pyrazol-3-amine
CID 63798283
5-(2,5-dimethylphenyl)-4-thiophen-2-yl-1H-pyrazol-3-amine
CID 55079031
5-(1-benzofuran-2-yl)-4-thiophen-2-yl-1H-pyrazol-3-amine
CID 62503235
5-(2-chloro-4-methylphenyl)-4-thiophen-2-yl-1H-pyrazol-3-amine
CID 106861439

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-difluorophenyl)-5-thiophen-2-yl-1H-pyrazol-3-amine?
The IUPAC name of 4-(3,5-difluorophenyl)-5-thiophen-2-yl-1H-pyrazol-3-amine (CID 61496475) is 4-(3,5-difluorophenyl)-5-thiophen-2-yl-1H-pyrazol-3-amine.
What is the SMILES notation for 4-(3,5-difluorophenyl)-5-thiophen-2-yl-1H-pyrazol-3-amine?
The canonical SMILES for 4-(3,5-difluorophenyl)-5-thiophen-2-yl-1H-pyrazol-3-amine is Nc1n[nH]c(-c2cccs2)c1-c1cc(F)cc(F)c1.
What is the InChIKey of 4-(3,5-difluorophenyl)-5-thiophen-2-yl-1H-pyrazol-3-amine?
The InChIKey is RYEMEXPDRPYZEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F2N3S/c14-8-4-7(5-9(15)6-8)11-12(17-18-13(11)16)10-2-1-3-19-10/h1-6H,(H3,16,17,18).
What are the key properties of 4-(3,5-difluorophenyl)-5-thiophen-2-yl-1H-pyrazol-3-amine?
4-(3,5-difluorophenyl)-5-thiophen-2-yl-1H-pyrazol-3-amine has a molecular weight of 277.30 g/mol, XLogP of 3.67, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-difluorophenyl)-5-thiophen-2-yl-1H-pyrazol-3-amine is sourced from PubChem (CID 61496475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).