5-(2-fluoro-6-methoxyphenyl)-4-thiophen-2-yl-1H-pyrazol-3-amine

C14H12FN3OS — CID 65433061

IUPAC5-(2-fluoro-6-methoxyphenyl)-4-thiophen-2-yl-1H-pyrazol-3-amine
SMILESCOc1cccc(F)c1-c1[nH]nc(N)c1-c1cccs1
InChIInChI=1S/C14H12FN3OS/c1-19-9-5-2-4-8(15)11(9)13-12(14(16)18-17-13)10-6-3-7-20-10/h2-7H,1H3,(H3,16,17,18)
InChIKeyQBACRTREPBJCMC-UHFFFAOYSA-N
MW289.34 g/mol
LogP3.54
Rot. Bonds3

About 5-(2-fluoro-6-methoxyphenyl)-4-thiophen-2-yl-1H-pyrazol-3-amine

5-(2-fluoro-6-methoxyphenyl)-4-thiophen-2-yl-1H-pyrazol-3-amine (PubChem CID 65433061) has the molecular formula C14H12FN3OS and a molecular weight of 289.34 g/mol. Its IUPAC name is 5-(2-fluoro-6-methoxyphenyl)-4-thiophen-2-yl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(2-fluoro-6-methoxyphenyl)-4-thiophen-2-yl-1H-pyrazol-3-amine
PubChem CID65433061
Molecular FormulaC14H12FN3OS
Molecular Weight289.34 g/mol
Exact Mass289.07
IUPAC Name5-(2-fluoro-6-methoxyphenyl)-4-thiophen-2-yl-1H-pyrazol-3-amine
SMILESCOc1cccc(F)c1-c1[nH]nc(N)c1-c1cccs1
InChIInChI=1S/C14H12FN3OS/c1-19-9-5-2-4-8(15)11(9)13-12(14(16)18-17-13)10-6-3-7-20-10/h2-7H,1H3,(H3,16,17,18)
InChIKeyQBACRTREPBJCMC-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-(2-fluoro-6-methoxyphenyl)-4-thiophen-2-yl-1H-pyrazol-3-amine?
The IUPAC name of 5-(2-fluoro-6-methoxyphenyl)-4-thiophen-2-yl-1H-pyrazol-3-amine (CID 65433061) is 5-(2-fluoro-6-methoxyphenyl)-4-thiophen-2-yl-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(2-fluoro-6-methoxyphenyl)-4-thiophen-2-yl-1H-pyrazol-3-amine?
The canonical SMILES for 5-(2-fluoro-6-methoxyphenyl)-4-thiophen-2-yl-1H-pyrazol-3-amine is COc1cccc(F)c1-c1[nH]nc(N)c1-c1cccs1.
What is the InChIKey of 5-(2-fluoro-6-methoxyphenyl)-4-thiophen-2-yl-1H-pyrazol-3-amine?
The InChIKey is QBACRTREPBJCMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3OS/c1-19-9-5-2-4-8(15)11(9)13-12(14(16)18-17-13)10-6-3-7-20-10/h2-7H,1H3,(H3,16,17,18).
What are the key properties of 5-(2-fluoro-6-methoxyphenyl)-4-thiophen-2-yl-1H-pyrazol-3-amine?
5-(2-fluoro-6-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-(2-fluoro-6-methoxyphenyl)-4-thiophen-2-yl-1H-pyrazol-3-amine is sourced from PubChem (CID 65433061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).