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

C15H13F2N3S — CID 65238813

IUPAC4-(2,4-difluorophenyl)-5-(4,5-dimethylthiophen-2-yl)-1H-pyrazol-3-amine
SMILESCc1cc(-c2[nH]nc(N)c2-c2ccc(F)cc2F)sc1C
InChIInChI=1S/C15H13F2N3S/c1-7-5-12(21-8(7)2)14-13(15(18)20-19-14)10-4-3-9(16)6-11(10)17/h3-6H,1-2H3,(H3,18,19,20)
InChIKeyZIYUQAOUNDKJHD-UHFFFAOYSA-N
MW305.35 g/mol
LogP4.28
Rot. Bonds2

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

4-(2,4-difluorophenyl)-5-(4,5-dimethylthiophen-2-yl)-1H-pyrazol-3-amine (PubChem CID 65238813) has the molecular formula C15H13F2N3S and a molecular weight of 305.35 g/mol. Its IUPAC name is 4-(2,4-difluorophenyl)-5-(4,5-dimethylthiophen-2-yl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-(2,4-difluorophenyl)-5-(4,5-dimethylthiophen-2-yl)-1H-pyrazol-3-amine
PubChem CID65238813
Molecular FormulaC15H13F2N3S
Molecular Weight305.35 g/mol
Exact Mass305.08
IUPAC Name4-(2,4-difluorophenyl)-5-(4,5-dimethylthiophen-2-yl)-1H-pyrazol-3-amine
SMILESCc1cc(-c2[nH]nc(N)c2-c2ccc(F)cc2F)sc1C
InChIInChI=1S/C15H13F2N3S/c1-7-5-12(21-8(7)2)14-13(15(18)20-19-14)10-4-3-9(16)6-11(10)17/h3-6H,1-2H3,(H3,18,19,20)
InChIKeyZIYUQAOUNDKJHD-UHFFFAOYSA-N
XLogP4.28
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenyl)-5-(4,5-dimethylthiophen-2-yl)-1H-pyrazol-3-amine?
The IUPAC name of 4-(2,4-difluorophenyl)-5-(4,5-dimethylthiophen-2-yl)-1H-pyrazol-3-amine (CID 65238813) is 4-(2,4-difluorophenyl)-5-(4,5-dimethylthiophen-2-yl)-1H-pyrazol-3-amine.
What is the SMILES notation for 4-(2,4-difluorophenyl)-5-(4,5-dimethylthiophen-2-yl)-1H-pyrazol-3-amine?
The canonical SMILES for 4-(2,4-difluorophenyl)-5-(4,5-dimethylthiophen-2-yl)-1H-pyrazol-3-amine is Cc1cc(-c2[nH]nc(N)c2-c2ccc(F)cc2F)sc1C.
What is the InChIKey of 4-(2,4-difluorophenyl)-5-(4,5-dimethylthiophen-2-yl)-1H-pyrazol-3-amine?
The InChIKey is ZIYUQAOUNDKJHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2N3S/c1-7-5-12(21-8(7)2)14-13(15(18)20-19-14)10-4-3-9(16)6-11(10)17/h3-6H,1-2H3,(H3,18,19,20).
What are the key properties of 4-(2,4-difluorophenyl)-5-(4,5-dimethylthiophen-2-yl)-1H-pyrazol-3-amine?
4-(2,4-difluorophenyl)-5-(4,5-dimethylthiophen-2-yl)-1H-pyrazol-3-amine has a molecular weight of 305.35 g/mol, XLogP of 4.28, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenyl)-5-(4,5-dimethylthiophen-2-yl)-1H-pyrazol-3-amine is sourced from PubChem (CID 65238813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).