1-thiophen-2-yl-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]butan-1-ol

C15H23N3OS — CID 75436145

IUPAC1-thiophen-2-yl-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]butan-1-ol
SMILESCc1nn(C)c(C)c1CNC(C)CC(O)c1cccs1
InChIInChI=1S/C15H23N3OS/c1-10(8-14(19)15-6-5-7-20-15)16-9-13-11(2)17-18(4)12(13)3/h5-7,10,14,16,19H,8-9H2,1-4H3
InChIKeyFITZRJRLSHTALU-UHFFFAOYSA-N
MW293.44 g/mol
LogP2.70
Rot. Bonds6

About 1-thiophen-2-yl-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]butan-1-ol

1-thiophen-2-yl-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]butan-1-ol (PubChem CID 75436145) has the molecular formula C15H23N3OS and a molecular weight of 293.44 g/mol. Its IUPAC name is 1-thiophen-2-yl-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]butan-1-ol.

Molecular Properties

Compound Name1-thiophen-2-yl-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]butan-1-ol
PubChem CID75436145
Molecular FormulaC15H23N3OS
Molecular Weight293.44 g/mol
Exact Mass293.16
IUPAC Name1-thiophen-2-yl-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]butan-1-ol
SMILESCc1nn(C)c(C)c1CNC(C)CC(O)c1cccs1
InChIInChI=1S/C15H23N3OS/c1-10(8-14(19)15-6-5-7-20-15)16-9-13-11(2)17-18(4)12(13)3/h5-7,10,14,16,19H,8-9H2,1-4H3
InChIKeyFITZRJRLSHTALU-UHFFFAOYSA-N
XLogP2.70
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-thiophen-2-yl-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]butan-1-ol?
The IUPAC name of 1-thiophen-2-yl-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]butan-1-ol (CID 75436145) is 1-thiophen-2-yl-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]butan-1-ol.
What is the SMILES notation for 1-thiophen-2-yl-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]butan-1-ol?
The canonical SMILES for 1-thiophen-2-yl-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]butan-1-ol is Cc1nn(C)c(C)c1CNC(C)CC(O)c1cccs1.
What is the InChIKey of 1-thiophen-2-yl-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]butan-1-ol?
The InChIKey is FITZRJRLSHTALU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3OS/c1-10(8-14(19)15-6-5-7-20-15)16-9-13-11(2)17-18(4)12(13)3/h5-7,10,14,16,19H,8-9H2,1-4H3.
What are the key properties of 1-thiophen-2-yl-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]butan-1-ol?
1-thiophen-2-yl-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]butan-1-ol has a molecular weight of 293.44 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiophen-2-yl-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]butan-1-ol is sourced from PubChem (CID 75436145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).