2-(1-methylpyrazol-4-yl)-1-[1-(3-methylthiophen-2-yl)ethylamino]propan-2-ol

C14H21N3OS — CID 84588248

IUPAC2-(1-methylpyrazol-4-yl)-1-[1-(3-methylthiophen-2-yl)ethylamino]propan-2-ol
SMILESCc1ccsc1C(C)NCC(C)(O)c1cnn(C)c1
InChIInChI=1S/C14H21N3OS/c1-10-5-6-19-13(10)11(2)15-9-14(3,18)12-7-16-17(4)8-12/h5-8,11,15,18H,9H2,1-4H3
InChIKeySWHYRBZAIQMBBL-UHFFFAOYSA-N
MW279.41 g/mol
LogP2.35
Rot. Bonds5

About 2-(1-methylpyrazol-4-yl)-1-[1-(3-methylthiophen-2-yl)ethylamino]propan-2-ol

2-(1-methylpyrazol-4-yl)-1-[1-(3-methylthiophen-2-yl)ethylamino]propan-2-ol (PubChem CID 84588248) has the molecular formula C14H21N3OS and a molecular weight of 279.41 g/mol. Its IUPAC name is 2-(1-methylpyrazol-4-yl)-1-[1-(3-methylthiophen-2-yl)ethylamino]propan-2-ol.

Molecular Properties

Compound Name2-(1-methylpyrazol-4-yl)-1-[1-(3-methylthiophen-2-yl)ethylamino]propan-2-ol
PubChem CID84588248
Molecular FormulaC14H21N3OS
Molecular Weight279.41 g/mol
Exact Mass279.14
IUPAC Name2-(1-methylpyrazol-4-yl)-1-[1-(3-methylthiophen-2-yl)ethylamino]propan-2-ol
SMILESCc1ccsc1C(C)NCC(C)(O)c1cnn(C)c1
InChIInChI=1S/C14H21N3OS/c1-10-5-6-19-13(10)11(2)15-9-14(3,18)12-7-16-17(4)8-12/h5-8,11,15,18H,9H2,1-4H3
InChIKeySWHYRBZAIQMBBL-UHFFFAOYSA-N
XLogP2.35
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-4-yl)-1-[1-(3-methylthiophen-2-yl)ethylamino]propan-2-ol?
The IUPAC name of 2-(1-methylpyrazol-4-yl)-1-[1-(3-methylthiophen-2-yl)ethylamino]propan-2-ol (CID 84588248) is 2-(1-methylpyrazol-4-yl)-1-[1-(3-methylthiophen-2-yl)ethylamino]propan-2-ol.
What is the SMILES notation for 2-(1-methylpyrazol-4-yl)-1-[1-(3-methylthiophen-2-yl)ethylamino]propan-2-ol?
The canonical SMILES for 2-(1-methylpyrazol-4-yl)-1-[1-(3-methylthiophen-2-yl)ethylamino]propan-2-ol is Cc1ccsc1C(C)NCC(C)(O)c1cnn(C)c1.
What is the InChIKey of 2-(1-methylpyrazol-4-yl)-1-[1-(3-methylthiophen-2-yl)ethylamino]propan-2-ol?
The InChIKey is SWHYRBZAIQMBBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3OS/c1-10-5-6-19-13(10)11(2)15-9-14(3,18)12-7-16-17(4)8-12/h5-8,11,15,18H,9H2,1-4H3.
What are the key properties of 2-(1-methylpyrazol-4-yl)-1-[1-(3-methylthiophen-2-yl)ethylamino]propan-2-ol?
2-(1-methylpyrazol-4-yl)-1-[1-(3-methylthiophen-2-yl)ethylamino]propan-2-ol has a molecular weight of 279.41 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-4-yl)-1-[1-(3-methylthiophen-2-yl)ethylamino]propan-2-ol is sourced from PubChem (CID 84588248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).