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

C14H12FN3OS — CID 81122151

IUPAC4-(3-fluorophenyl)-5-(3-methoxythiophen-2-yl)-1H-pyrazol-3-amine
SMILESCOc1ccsc1-c1[nH]nc(N)c1-c1cccc(F)c1
InChIInChI=1S/C14H12FN3OS/c1-19-10-5-6-20-13(10)12-11(14(16)18-17-12)8-3-2-4-9(15)7-8/h2-7H,1H3,(H3,16,17,18)
InChIKeyMCQOIXBCFOHJDJ-UHFFFAOYSA-N
MW289.34 g/mol
LogP3.54
Rot. Bonds3

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

4-(3-fluorophenyl)-5-(3-methoxythiophen-2-yl)-1H-pyrazol-3-amine (PubChem CID 81122151) has the molecular formula C14H12FN3OS and a molecular weight of 289.34 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-5-(3-methoxythiophen-2-yl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-(3-fluorophenyl)-5-(3-methoxythiophen-2-yl)-1H-pyrazol-3-amine
PubChem CID81122151
Molecular FormulaC14H12FN3OS
Molecular Weight289.34 g/mol
Exact Mass289.07
IUPAC Name4-(3-fluorophenyl)-5-(3-methoxythiophen-2-yl)-1H-pyrazol-3-amine
SMILESCOc1ccsc1-c1[nH]nc(N)c1-c1cccc(F)c1
InChIInChI=1S/C14H12FN3OS/c1-19-10-5-6-20-13(10)12-11(14(16)18-17-12)8-3-2-4-9(15)7-8/h2-7H,1H3,(H3,16,17,18)
InChIKeyMCQOIXBCFOHJDJ-UHFFFAOYSA-N
XLogP3.54
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)-5-(3-methoxythiophen-2-yl)-1H-pyrazol-3-amine?
The IUPAC name of 4-(3-fluorophenyl)-5-(3-methoxythiophen-2-yl)-1H-pyrazol-3-amine (CID 81122151) is 4-(3-fluorophenyl)-5-(3-methoxythiophen-2-yl)-1H-pyrazol-3-amine.
What is the SMILES notation for 4-(3-fluorophenyl)-5-(3-methoxythiophen-2-yl)-1H-pyrazol-3-amine?
The canonical SMILES for 4-(3-fluorophenyl)-5-(3-methoxythiophen-2-yl)-1H-pyrazol-3-amine is COc1ccsc1-c1[nH]nc(N)c1-c1cccc(F)c1.
What is the InChIKey of 4-(3-fluorophenyl)-5-(3-methoxythiophen-2-yl)-1H-pyrazol-3-amine?
The InChIKey is MCQOIXBCFOHJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3OS/c1-19-10-5-6-20-13(10)12-11(14(16)18-17-12)8-3-2-4-9(15)7-8/h2-7H,1H3,(H3,16,17,18).
What are the key properties of 4-(3-fluorophenyl)-5-(3-methoxythiophen-2-yl)-1H-pyrazol-3-amine?
4-(3-fluorophenyl)-5-(3-methoxythiophen-2-yl)-1H-pyrazol-3-amine has a molecular weight of 289.34 g/mol, XLogP of 3.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)-5-(3-methoxythiophen-2-yl)-1H-pyrazol-3-amine is sourced from PubChem (CID 81122151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).