2-[(1-butan-2-ylpyrazol-3-yl)methyl-propylamino]ethanol

C13H25N3O — CID 64777688

IUPAC2-[(1-butan-2-ylpyrazol-3-yl)methyl-propylamino]ethanol
SMILESCCCN(CCO)Cc1ccn(C(C)CC)n1
InChIInChI=1S/C13H25N3O/c1-4-7-15(9-10-17)11-13-6-8-16(14-13)12(3)5-2/h6,8,12,17H,4-5,7,9-11H2,1-3H3
InChIKeyZLRGBKXODQEXIA-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.06
Rot. Bonds8

About 2-[(1-butan-2-ylpyrazol-3-yl)methyl-propylamino]ethanol

2-[(1-butan-2-ylpyrazol-3-yl)methyl-propylamino]ethanol (PubChem CID 64777688) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-[(1-butan-2-ylpyrazol-3-yl)methyl-propylamino]ethanol.

Molecular Properties

Compound Name2-[(1-butan-2-ylpyrazol-3-yl)methyl-propylamino]ethanol
PubChem CID64777688
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name2-[(1-butan-2-ylpyrazol-3-yl)methyl-propylamino]ethanol
SMILESCCCN(CCO)Cc1ccn(C(C)CC)n1
InChIInChI=1S/C13H25N3O/c1-4-7-15(9-10-17)11-13-6-8-16(14-13)12(3)5-2/h6,8,12,17H,4-5,7,9-11H2,1-3H3
InChIKeyZLRGBKXODQEXIA-UHFFFAOYSA-N
XLogP2.06
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1-butan-2-ylpyrazol-3-yl)methyl-propylamino]acetonitrile
CID 64801478
2-[(1-butan-2-ylpyrazol-3-yl)methyl-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106618052
N'-[(1-butan-2-ylpyrazol-3-yl)methyl]-N'-ethyl-N-propan-2-ylethane-1,2-diamine
CID 64783778
3-[(1-butan-2-ylpyrazol-3-yl)methyl-(2-methylpropyl)amino]propanenitrile
CID 64800723
2-N-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-methyl-2-N-propylpropane-1,2-diamine
CID 64800225
3-[(1-butan-2-ylpyrazol-3-yl)methyl-(2-methylpropyl)amino]-N'-hydroxypropanimidamide
CID 77053137
N'-benzyl-N'-[(1-butan-2-ylpyrazol-3-yl)methyl]ethane-1,2-diamine
CID 64799449
N-[(1-butan-2-ylpyrazol-3-yl)methyl]-N-propylazetidin-3-amine
CID 66213681
2-[(1-pentan-3-ylpyrazol-3-yl)methyl-propylamino]acetonitrile
CID 64801479
2-[pentan-3-yl-[(1-propan-2-ylpyrazol-3-yl)methyl]amino]ethanol
CID 64773175
2-[(1-butan-2-ylpyrazol-3-yl)methyl-prop-2-enylamino]acetic acid
CID 79276299
N'-[(1-butan-2-ylpyrazol-3-yl)methyl]-N-ethyl-N'-methylethane-1,2-diamine
CID 64783588

Frequently Asked Questions

What is the IUPAC name of 2-[(1-butan-2-ylpyrazol-3-yl)methyl-propylamino]ethanol?
The IUPAC name of 2-[(1-butan-2-ylpyrazol-3-yl)methyl-propylamino]ethanol (CID 64777688) is 2-[(1-butan-2-ylpyrazol-3-yl)methyl-propylamino]ethanol.
What is the SMILES notation for 2-[(1-butan-2-ylpyrazol-3-yl)methyl-propylamino]ethanol?
The canonical SMILES for 2-[(1-butan-2-ylpyrazol-3-yl)methyl-propylamino]ethanol is CCCN(CCO)Cc1ccn(C(C)CC)n1.
What is the InChIKey of 2-[(1-butan-2-ylpyrazol-3-yl)methyl-propylamino]ethanol?
The InChIKey is ZLRGBKXODQEXIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-4-7-15(9-10-17)11-13-6-8-16(14-13)12(3)5-2/h6,8,12,17H,4-5,7,9-11H2,1-3H3.
What are the key properties of 2-[(1-butan-2-ylpyrazol-3-yl)methyl-propylamino]ethanol?
2-[(1-butan-2-ylpyrazol-3-yl)methyl-propylamino]ethanol has a molecular weight of 239.36 g/mol, XLogP of 2.06, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-butan-2-ylpyrazol-3-yl)methyl-propylamino]ethanol is sourced from PubChem (CID 64777688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).