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

C14H11F2N3OS — CID 81122524

IUPAC4-(2,4-difluorophenyl)-5-(4-methoxythiophen-2-yl)-1H-pyrazol-3-amine
SMILESCOc1csc(-c2[nH]nc(N)c2-c2ccc(F)cc2F)c1
InChIInChI=1S/C14H11F2N3OS/c1-20-8-5-11(21-6-8)13-12(14(17)19-18-13)9-3-2-7(15)4-10(9)16/h2-6H,1H3,(H3,17,18,19)
InChIKeyGLPFUYJALKXHMN-UHFFFAOYSA-N
MW307.33 g/mol
LogP3.67
Rot. Bonds3

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

4-(2,4-difluorophenyl)-5-(4-methoxythiophen-2-yl)-1H-pyrazol-3-amine (PubChem CID 81122524) has the molecular formula C14H11F2N3OS and a molecular weight of 307.33 g/mol. Its IUPAC name is 4-(2,4-difluorophenyl)-5-(4-methoxythiophen-2-yl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-(2,4-difluorophenyl)-5-(4-methoxythiophen-2-yl)-1H-pyrazol-3-amine
PubChem CID81122524
Molecular FormulaC14H11F2N3OS
Molecular Weight307.33 g/mol
Exact Mass307.06
IUPAC Name4-(2,4-difluorophenyl)-5-(4-methoxythiophen-2-yl)-1H-pyrazol-3-amine
SMILESCOc1csc(-c2[nH]nc(N)c2-c2ccc(F)cc2F)c1
InChIInChI=1S/C14H11F2N3OS/c1-20-8-5-11(21-6-8)13-12(14(17)19-18-13)9-3-2-7(15)4-10(9)16/h2-6H,1H3,(H3,17,18,19)
InChIKeyGLPFUYJALKXHMN-UHFFFAOYSA-N
XLogP3.67
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.33
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenyl)-5-(4-methoxythiophen-2-yl)-1H-pyrazol-3-amine?
The IUPAC name of 4-(2,4-difluorophenyl)-5-(4-methoxythiophen-2-yl)-1H-pyrazol-3-amine (CID 81122524) is 4-(2,4-difluorophenyl)-5-(4-methoxythiophen-2-yl)-1H-pyrazol-3-amine.
What is the SMILES notation for 4-(2,4-difluorophenyl)-5-(4-methoxythiophen-2-yl)-1H-pyrazol-3-amine?
The canonical SMILES for 4-(2,4-difluorophenyl)-5-(4-methoxythiophen-2-yl)-1H-pyrazol-3-amine is COc1csc(-c2[nH]nc(N)c2-c2ccc(F)cc2F)c1.
What is the InChIKey of 4-(2,4-difluorophenyl)-5-(4-methoxythiophen-2-yl)-1H-pyrazol-3-amine?
The InChIKey is GLPFUYJALKXHMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2N3OS/c1-20-8-5-11(21-6-8)13-12(14(17)19-18-13)9-3-2-7(15)4-10(9)16/h2-6H,1H3,(H3,17,18,19).
What are the key properties of 4-(2,4-difluorophenyl)-5-(4-methoxythiophen-2-yl)-1H-pyrazol-3-amine?
4-(2,4-difluorophenyl)-5-(4-methoxythiophen-2-yl)-1H-pyrazol-3-amine has a molecular weight of 307.33 g/mol, XLogP of 3.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenyl)-5-(4-methoxythiophen-2-yl)-1H-pyrazol-3-amine is sourced from PubChem (CID 81122524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).