4-(3,4-difluorophenyl)-5-(4-methylsulfanylphenyl)-1H-pyrazol-3-amine

C16H13F2N3S — CID 10686967

IUPAC4-(3,4-difluorophenyl)-5-(4-methylsulfanylphenyl)-1H-pyrazol-3-amine
SMILESCSc1ccc(-c2[nH]nc(N)c2-c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C16H13F2N3S/c1-22-11-5-2-9(3-6-11)15-14(16(19)21-20-15)10-4-7-12(17)13(18)8-10/h2-8H,1H3,(H3,19,20,21)
InChIKeyVKXBIXJPNQVHPA-UHFFFAOYSA-N
MW317.36 g/mol
LogP4.33
Rot. Bonds3

About 4-(3,4-difluorophenyl)-5-(4-methylsulfanylphenyl)-1H-pyrazol-3-amine

4-(3,4-difluorophenyl)-5-(4-methylsulfanylphenyl)-1H-pyrazol-3-amine (PubChem CID 10686967) has the molecular formula C16H13F2N3S and a molecular weight of 317.36 g/mol. Its IUPAC name is 4-(3,4-difluorophenyl)-5-(4-methylsulfanylphenyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-(3,4-difluorophenyl)-5-(4-methylsulfanylphenyl)-1H-pyrazol-3-amine
PubChem CID10686967
Molecular FormulaC16H13F2N3S
Molecular Weight317.36 g/mol
Exact Mass317.08
IUPAC Name4-(3,4-difluorophenyl)-5-(4-methylsulfanylphenyl)-1H-pyrazol-3-amine
SMILESCSc1ccc(-c2[nH]nc(N)c2-c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C16H13F2N3S/c1-22-11-5-2-9(3-6-11)15-14(16(19)21-20-15)10-4-7-12(17)13(18)8-10/h2-8H,1H3,(H3,19,20,21)
InChIKeyVKXBIXJPNQVHPA-UHFFFAOYSA-N
XLogP4.33
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(3,4-difluorophenyl)-5-(4-methylsulfanylphenyl)-1H-pyrazol-3-amine 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

4-(3-chlorophenyl)-5-(4-fluoro-3-methylphenyl)-1H-pyrazol-3-amine
CID 63210614
4-(3,4-dichlorophenyl)-5-(4-methylphenyl)-1H-pyrazol-3-amine
CID 63525572
4-(3-methylphenyl)-5-(4-methylphenyl)-1H-pyrazol-3-amine
CID 62829235
5-(4-fluorophenyl)-4-(3-methoxyphenyl)-1H-pyrazol-3-amine
CID 61261996
4-(3,4-dimethylphenyl)-5-(3-fluorophenyl)-1H-pyrazol-3-amine
CID 62901471
4-(3-bromophenyl)-5-(4-chloro-3-fluorophenyl)-1H-pyrazol-3-amine
CID 107988589
4,5-dipyridin-4-yl-1H-pyrazol-3-amine
CID 80524588
5-(3-bromo-4-methylphenyl)-4-(3-fluorophenyl)-1H-pyrazol-3-amine
CID 81460309
4-(3,4-dichlorophenyl)-5-(5-fluoro-3-pyridinyl)-1H-pyrazol-3-amine
CID 104785975
5-(4-chloro-2-fluorophenyl)-4-(3-methylphenyl)-1H-pyrazol-3-amine
CID 62828722
5-(3-chlorophenyl)-4-(3,4-dichlorophenyl)-1H-pyrazol-3-amine
CID 63524514
5-(4-chlorophenyl)-4-pyridin-3-yl-1H-pyrazol-3-amine
CID 80523727

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-difluorophenyl)-5-(4-methylsulfanylphenyl)-1H-pyrazol-3-amine?
The IUPAC name of 4-(3,4-difluorophenyl)-5-(4-methylsulfanylphenyl)-1H-pyrazol-3-amine (CID 10686967) is 4-(3,4-difluorophenyl)-5-(4-methylsulfanylphenyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 4-(3,4-difluorophenyl)-5-(4-methylsulfanylphenyl)-1H-pyrazol-3-amine?
The canonical SMILES for 4-(3,4-difluorophenyl)-5-(4-methylsulfanylphenyl)-1H-pyrazol-3-amine is CSc1ccc(-c2[nH]nc(N)c2-c2ccc(F)c(F)c2)cc1.
What is the InChIKey of 4-(3,4-difluorophenyl)-5-(4-methylsulfanylphenyl)-1H-pyrazol-3-amine?
The InChIKey is VKXBIXJPNQVHPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N3S/c1-22-11-5-2-9(3-6-11)15-14(16(19)21-20-15)10-4-7-12(17)13(18)8-10/h2-8H,1H3,(H3,19,20,21).
What are the key properties of 4-(3,4-difluorophenyl)-5-(4-methylsulfanylphenyl)-1H-pyrazol-3-amine?
4-(3,4-difluorophenyl)-5-(4-methylsulfanylphenyl)-1H-pyrazol-3-amine has a molecular weight of 317.36 g/mol, XLogP of 4.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-difluorophenyl)-5-(4-methylsulfanylphenyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 10686967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).