2-[(3,5-diethyl-1-methylpyrazol-4-yl)methylamino]-1-thiophen-2-ylethanol

C15H23N3OS — CID 75433069

IUPAC2-[(3,5-diethyl-1-methylpyrazol-4-yl)methylamino]-1-thiophen-2-ylethanol
SMILESCCc1nn(C)c(CC)c1CNCC(O)c1cccs1
InChIInChI=1S/C15H23N3OS/c1-4-12-11(13(5-2)18(3)17-12)9-16-10-14(19)15-7-6-8-20-15/h6-8,14,16,19H,4-5,9-10H2,1-3H3
InChIKeyAGLYYIRFBFQYRE-UHFFFAOYSA-N
MW293.44 g/mol
LogP2.43
Rot. Bonds7

About 2-[(3,5-diethyl-1-methylpyrazol-4-yl)methylamino]-1-thiophen-2-ylethanol

2-[(3,5-diethyl-1-methylpyrazol-4-yl)methylamino]-1-thiophen-2-ylethanol (PubChem CID 75433069) has the molecular formula C15H23N3OS and a molecular weight of 293.44 g/mol. Its IUPAC name is 2-[(3,5-diethyl-1-methylpyrazol-4-yl)methylamino]-1-thiophen-2-ylethanol.

Molecular Properties

Compound Name2-[(3,5-diethyl-1-methylpyrazol-4-yl)methylamino]-1-thiophen-2-ylethanol
PubChem CID75433069
Molecular FormulaC15H23N3OS
Molecular Weight293.44 g/mol
Exact Mass293.16
IUPAC Name2-[(3,5-diethyl-1-methylpyrazol-4-yl)methylamino]-1-thiophen-2-ylethanol
SMILESCCc1nn(C)c(CC)c1CNCC(O)c1cccs1
InChIInChI=1S/C15H23N3OS/c1-4-12-11(13(5-2)18(3)17-12)9-16-10-14(19)15-7-6-8-20-15/h6-8,14,16,19H,4-5,9-10H2,1-3H3
InChIKeyAGLYYIRFBFQYRE-UHFFFAOYSA-N
XLogP2.43
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-diethyl-1-methylpyrazol-4-yl)methylamino]-1-thiophen-2-ylethanol?
The IUPAC name of 2-[(3,5-diethyl-1-methylpyrazol-4-yl)methylamino]-1-thiophen-2-ylethanol (CID 75433069) is 2-[(3,5-diethyl-1-methylpyrazol-4-yl)methylamino]-1-thiophen-2-ylethanol.
What is the SMILES notation for 2-[(3,5-diethyl-1-methylpyrazol-4-yl)methylamino]-1-thiophen-2-ylethanol?
The canonical SMILES for 2-[(3,5-diethyl-1-methylpyrazol-4-yl)methylamino]-1-thiophen-2-ylethanol is CCc1nn(C)c(CC)c1CNCC(O)c1cccs1.
What is the InChIKey of 2-[(3,5-diethyl-1-methylpyrazol-4-yl)methylamino]-1-thiophen-2-ylethanol?
The InChIKey is AGLYYIRFBFQYRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3OS/c1-4-12-11(13(5-2)18(3)17-12)9-16-10-14(19)15-7-6-8-20-15/h6-8,14,16,19H,4-5,9-10H2,1-3H3.
What are the key properties of 2-[(3,5-diethyl-1-methylpyrazol-4-yl)methylamino]-1-thiophen-2-ylethanol?
2-[(3,5-diethyl-1-methylpyrazol-4-yl)methylamino]-1-thiophen-2-ylethanol has a molecular weight of 293.44 g/mol, XLogP of 2.43, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-diethyl-1-methylpyrazol-4-yl)methylamino]-1-thiophen-2-ylethanol is sourced from PubChem (CID 75433069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).