5-(3-fluoro-4-methoxyphenyl)-4-thiophen-2-yl-1H-pyrazol-3-amine

C14H12FN3OS — CID 62920733

IUPAC5-(3-fluoro-4-methoxyphenyl)-4-thiophen-2-yl-1H-pyrazol-3-amine
SMILESCOc1ccc(-c2[nH]nc(N)c2-c2cccs2)cc1F
InChIInChI=1S/C14H12FN3OS/c1-19-10-5-4-8(7-9(10)15)13-12(14(16)18-17-13)11-3-2-6-20-11/h2-7H,1H3,(H3,16,17,18)
InChIKeyNXOPZEZAPISLEE-UHFFFAOYSA-N
MW289.34 g/mol
LogP3.54
Rot. Bonds3

About 5-(3-fluoro-4-methoxyphenyl)-4-thiophen-2-yl-1H-pyrazol-3-amine

5-(3-fluoro-4-methoxyphenyl)-4-thiophen-2-yl-1H-pyrazol-3-amine (PubChem CID 62920733) has the molecular formula C14H12FN3OS and a molecular weight of 289.34 g/mol. Its IUPAC name is 5-(3-fluoro-4-methoxyphenyl)-4-thiophen-2-yl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(3-fluoro-4-methoxyphenyl)-4-thiophen-2-yl-1H-pyrazol-3-amine
PubChem CID62920733
Molecular FormulaC14H12FN3OS
Molecular Weight289.34 g/mol
Exact Mass289.07
IUPAC Name5-(3-fluoro-4-methoxyphenyl)-4-thiophen-2-yl-1H-pyrazol-3-amine
SMILESCOc1ccc(-c2[nH]nc(N)c2-c2cccs2)cc1F
InChIInChI=1S/C14H12FN3OS/c1-19-10-5-4-8(7-9(10)15)13-12(14(16)18-17-13)11-3-2-6-20-11/h2-7H,1H3,(H3,16,17,18)
InChIKeyNXOPZEZAPISLEE-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 5-(3-fluoro-4-methoxyphenyl)-4-thiophen-2-yl-1H-pyrazol-3-amine?
The IUPAC name of 5-(3-fluoro-4-methoxyphenyl)-4-thiophen-2-yl-1H-pyrazol-3-amine (CID 62920733) is 5-(3-fluoro-4-methoxyphenyl)-4-thiophen-2-yl-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(3-fluoro-4-methoxyphenyl)-4-thiophen-2-yl-1H-pyrazol-3-amine?
The canonical SMILES for 5-(3-fluoro-4-methoxyphenyl)-4-thiophen-2-yl-1H-pyrazol-3-amine is COc1ccc(-c2[nH]nc(N)c2-c2cccs2)cc1F.
What is the InChIKey of 5-(3-fluoro-4-methoxyphenyl)-4-thiophen-2-yl-1H-pyrazol-3-amine?
The InChIKey is NXOPZEZAPISLEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3OS/c1-19-10-5-4-8(7-9(10)15)13-12(14(16)18-17-13)11-3-2-6-20-11/h2-7H,1H3,(H3,16,17,18).
What are the key properties of 5-(3-fluoro-4-methoxyphenyl)-4-thiophen-2-yl-1H-pyrazol-3-amine?
5-(3-fluoro-4-methoxyphenyl)-4-thiophen-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 5-(3-fluoro-4-methoxyphenyl)-4-thiophen-2-yl-1H-pyrazol-3-amine is sourced from PubChem (CID 62920733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).