4-thiophen-2-yl-5-(2,4,5-trimethylfuran-3-yl)-1H-pyrazol-3-amine

C14H15N3OS — CID 65153389

IUPAC4-thiophen-2-yl-5-(2,4,5-trimethylfuran-3-yl)-1H-pyrazol-3-amine
SMILESCc1oc(C)c(-c2[nH]nc(N)c2-c2cccs2)c1C
InChIInChI=1S/C14H15N3OS/c1-7-8(2)18-9(3)11(7)13-12(14(15)17-16-13)10-5-4-6-19-10/h4-6H,1-3H3,(H3,15,16,17)
InChIKeyNNZXQLFNTGBCMK-UHFFFAOYSA-N
MW273.36 g/mol
LogP3.91
Rot. Bonds2

About 4-thiophen-2-yl-5-(2,4,5-trimethylfuran-3-yl)-1H-pyrazol-3-amine

4-thiophen-2-yl-5-(2,4,5-trimethylfuran-3-yl)-1H-pyrazol-3-amine (PubChem CID 65153389) has the molecular formula C14H15N3OS and a molecular weight of 273.36 g/mol. Its IUPAC name is 4-thiophen-2-yl-5-(2,4,5-trimethylfuran-3-yl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-thiophen-2-yl-5-(2,4,5-trimethylfuran-3-yl)-1H-pyrazol-3-amine
PubChem CID65153389
Molecular FormulaC14H15N3OS
Molecular Weight273.36 g/mol
Exact Mass273.09
IUPAC Name4-thiophen-2-yl-5-(2,4,5-trimethylfuran-3-yl)-1H-pyrazol-3-amine
SMILESCc1oc(C)c(-c2[nH]nc(N)c2-c2cccs2)c1C
InChIInChI=1S/C14H15N3OS/c1-7-8(2)18-9(3)11(7)13-12(14(15)17-16-13)10-5-4-6-19-10/h4-6H,1-3H3,(H3,15,16,17)
InChIKeyNNZXQLFNTGBCMK-UHFFFAOYSA-N
XLogP3.91
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-thiophen-2-yl-5-(2,4,5-trimethylfuran-3-yl)-1H-pyrazol-3-amine?
The IUPAC name of 4-thiophen-2-yl-5-(2,4,5-trimethylfuran-3-yl)-1H-pyrazol-3-amine (CID 65153389) is 4-thiophen-2-yl-5-(2,4,5-trimethylfuran-3-yl)-1H-pyrazol-3-amine.
What is the SMILES notation for 4-thiophen-2-yl-5-(2,4,5-trimethylfuran-3-yl)-1H-pyrazol-3-amine?
The canonical SMILES for 4-thiophen-2-yl-5-(2,4,5-trimethylfuran-3-yl)-1H-pyrazol-3-amine is Cc1oc(C)c(-c2[nH]nc(N)c2-c2cccs2)c1C.
What is the InChIKey of 4-thiophen-2-yl-5-(2,4,5-trimethylfuran-3-yl)-1H-pyrazol-3-amine?
The InChIKey is NNZXQLFNTGBCMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3OS/c1-7-8(2)18-9(3)11(7)13-12(14(15)17-16-13)10-5-4-6-19-10/h4-6H,1-3H3,(H3,15,16,17).
What are the key properties of 4-thiophen-2-yl-5-(2,4,5-trimethylfuran-3-yl)-1H-pyrazol-3-amine?
4-thiophen-2-yl-5-(2,4,5-trimethylfuran-3-yl)-1H-pyrazol-3-amine has a molecular weight of 273.36 g/mol, XLogP of 3.91, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-thiophen-2-yl-5-(2,4,5-trimethylfuran-3-yl)-1H-pyrazol-3-amine is sourced from PubChem (CID 65153389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).