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

C8H9N3OS — CID 81122334

IUPAC5-(4-methoxythiophen-2-yl)-1H-pyrazol-3-amine
SMILESCOc1csc(-c2cc(N)n[nH]2)c1
InChIInChI=1S/C8H9N3OS/c1-12-5-2-7(13-4-5)6-3-8(9)11-10-6/h2-4H,1H3,(H3,9,10,11)
InChIKeyPVSNXBBNGTVSNW-UHFFFAOYSA-N
MW195.25 g/mol
LogP1.73
Rot. Bonds2

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

5-(4-methoxythiophen-2-yl)-1H-pyrazol-3-amine (PubChem CID 81122334) has the molecular formula C8H9N3OS and a molecular weight of 195.25 g/mol. Its IUPAC name is 5-(4-methoxythiophen-2-yl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(4-methoxythiophen-2-yl)-1H-pyrazol-3-amine
PubChem CID81122334
Molecular FormulaC8H9N3OS
Molecular Weight195.25 g/mol
Exact Mass195.05
IUPAC Name5-(4-methoxythiophen-2-yl)-1H-pyrazol-3-amine
SMILESCOc1csc(-c2cc(N)n[nH]2)c1
InChIInChI=1S/C8H9N3OS/c1-12-5-2-7(13-4-5)6-3-8(9)11-10-6/h2-4H,1H3,(H3,9,10,11)
InChIKeyPVSNXBBNGTVSNW-UHFFFAOYSA-N
XLogP1.73
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.25
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxythiophen-2-yl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(4-methoxythiophen-2-yl)-1H-pyrazol-3-amine (CID 81122334) is 5-(4-methoxythiophen-2-yl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(4-methoxythiophen-2-yl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(4-methoxythiophen-2-yl)-1H-pyrazol-3-amine is COc1csc(-c2cc(N)n[nH]2)c1.
What is the InChIKey of 5-(4-methoxythiophen-2-yl)-1H-pyrazol-3-amine?
The InChIKey is PVSNXBBNGTVSNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3OS/c1-12-5-2-7(13-4-5)6-3-8(9)11-10-6/h2-4H,1H3,(H3,9,10,11).
What are the key properties of 5-(4-methoxythiophen-2-yl)-1H-pyrazol-3-amine?
5-(4-methoxythiophen-2-yl)-1H-pyrazol-3-amine has a molecular weight of 195.25 g/mol, XLogP of 1.73, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxythiophen-2-yl)-1H-pyrazol-3-amine is sourced from PubChem (CID 81122334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).