2-[(2,5-dimethylpyrazol-3-yl)methyl-(thiophen-2-ylmethyl)amino]butan-1-ol

C15H23N3OS — CID 46991200

IUPAC2-[(2,5-dimethylpyrazol-3-yl)methyl-(thiophen-2-ylmethyl)amino]butan-1-ol
SMILESCCC(CO)N(Cc1cccs1)Cc1cc(C)nn1C
InChIInChI=1S/C15H23N3OS/c1-4-13(11-19)18(10-15-6-5-7-20-15)9-14-8-12(2)16-17(14)3/h5-8,13,19H,4,9-11H2,1-3H3
InChIKeyBURGDURPMYWXGW-UHFFFAOYSA-N
MW293.44 g/mol
LogP2.56
Rot. Bonds7

About 2-[(2,5-dimethylpyrazol-3-yl)methyl-(thiophen-2-ylmethyl)amino]butan-1-ol

2-[(2,5-dimethylpyrazol-3-yl)methyl-(thiophen-2-ylmethyl)amino]butan-1-ol (PubChem CID 46991200) has the molecular formula C15H23N3OS and a molecular weight of 293.44 g/mol. Its IUPAC name is 2-[(2,5-dimethylpyrazol-3-yl)methyl-(thiophen-2-ylmethyl)amino]butan-1-ol.

Molecular Properties

Compound Name2-[(2,5-dimethylpyrazol-3-yl)methyl-(thiophen-2-ylmethyl)amino]butan-1-ol
PubChem CID46991200
Molecular FormulaC15H23N3OS
Molecular Weight293.44 g/mol
Exact Mass293.16
IUPAC Name2-[(2,5-dimethylpyrazol-3-yl)methyl-(thiophen-2-ylmethyl)amino]butan-1-ol
SMILESCCC(CO)N(Cc1cccs1)Cc1cc(C)nn1C
InChIInChI=1S/C15H23N3OS/c1-4-13(11-19)18(10-15-6-5-7-20-15)9-14-8-12(2)16-17(14)3/h5-8,13,19H,4,9-11H2,1-3H3
InChIKeyBURGDURPMYWXGW-UHFFFAOYSA-N
XLogP2.56
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[pentan-3-yl(thiophen-2-ylmethyl)amino]ethanol
CID 62016059
[1-(2,5-dimethylpyrazol-3-yl)-5-thiophen-2-ylpentan-2-yl]hydrazine
CID 105315827
1-(2,5-dimethylpyrazol-3-yl)-3-thiophen-2-ylpropan-1-one
CID 105101493
N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-(3-phenylprop-2-ynyl)butan-2-amine
CID 46989833
N-[(2S)-1-hydroxybutan-2-yl]-N-(thiophen-2-ylmethyl)furan-3-carboxamide
CID 95046623
1-amino-3-(2,5-dimethylpyrazol-3-yl)-1-thiophen-2-ylpropan-2-one
CID 116601573
(1R)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-1-thiophen-2-ylethanamine
CID 81408199
N-(1-hydroxybutan-2-yl)-2-oxo-N-(thiophen-2-ylmethyl)chromene-3-carboxamide
CID 46994886
2-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methylbutan-1-ol
CID 66058323
2-(2,5-dimethylpyrazol-3-yl)-1-(3-ethylthiophen-2-yl)ethanone
CID 114978839
3-fluoro-N-(1-hydroxybutan-2-yl)-8-methyl-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 46984966
2-[(2,5-dimethylpyrazol-3-yl)sulfonyl-(2-thiophen-2-ylethyl)amino]acetic acid
CID 166266184

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethylpyrazol-3-yl)methyl-(thiophen-2-ylmethyl)amino]butan-1-ol?
The IUPAC name of 2-[(2,5-dimethylpyrazol-3-yl)methyl-(thiophen-2-ylmethyl)amino]butan-1-ol (CID 46991200) is 2-[(2,5-dimethylpyrazol-3-yl)methyl-(thiophen-2-ylmethyl)amino]butan-1-ol.
What is the SMILES notation for 2-[(2,5-dimethylpyrazol-3-yl)methyl-(thiophen-2-ylmethyl)amino]butan-1-ol?
The canonical SMILES for 2-[(2,5-dimethylpyrazol-3-yl)methyl-(thiophen-2-ylmethyl)amino]butan-1-ol is CCC(CO)N(Cc1cccs1)Cc1cc(C)nn1C.
What is the InChIKey of 2-[(2,5-dimethylpyrazol-3-yl)methyl-(thiophen-2-ylmethyl)amino]butan-1-ol?
The InChIKey is BURGDURPMYWXGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3OS/c1-4-13(11-19)18(10-15-6-5-7-20-15)9-14-8-12(2)16-17(14)3/h5-8,13,19H,4,9-11H2,1-3H3.
What are the key properties of 2-[(2,5-dimethylpyrazol-3-yl)methyl-(thiophen-2-ylmethyl)amino]butan-1-ol?
2-[(2,5-dimethylpyrazol-3-yl)methyl-(thiophen-2-ylmethyl)amino]butan-1-ol has a molecular weight of 293.44 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethylpyrazol-3-yl)methyl-(thiophen-2-ylmethyl)amino]butan-1-ol is sourced from PubChem (CID 46991200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).