2-[(1-butan-2-ylpyrazol-3-yl)methyl-(pyrrolidin-2-ylmethyl)amino]ethanol

C15H28N4O — CID 106618052

IUPAC2-[(1-butan-2-ylpyrazol-3-yl)methyl-(pyrrolidin-2-ylmethyl)amino]ethanol
SMILESCCC(C)n1ccc(CN(CCO)CC2CCCN2)n1
InChIInChI=1S/C15H28N4O/c1-3-13(2)19-8-6-15(17-19)12-18(9-10-20)11-14-5-4-7-16-14/h6,8,13-14,16,20H,3-5,7,9-12H2,1-2H3
InChIKeyVEEMSRQNINZTPV-UHFFFAOYSA-N
MW280.42 g/mol
LogP1.40
Rot. Bonds8

About 2-[(1-butan-2-ylpyrazol-3-yl)methyl-(pyrrolidin-2-ylmethyl)amino]ethanol

2-[(1-butan-2-ylpyrazol-3-yl)methyl-(pyrrolidin-2-ylmethyl)amino]ethanol (PubChem CID 106618052) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is 2-[(1-butan-2-ylpyrazol-3-yl)methyl-(pyrrolidin-2-ylmethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(1-butan-2-ylpyrazol-3-yl)methyl-(pyrrolidin-2-ylmethyl)amino]ethanol
PubChem CID106618052
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC Name2-[(1-butan-2-ylpyrazol-3-yl)methyl-(pyrrolidin-2-ylmethyl)amino]ethanol
SMILESCCC(C)n1ccc(CN(CCO)CC2CCCN2)n1
InChIInChI=1S/C15H28N4O/c1-3-13(2)19-8-6-15(17-19)12-18(9-10-20)11-14-5-4-7-16-14/h6,8,13-14,16,20H,3-5,7,9-12H2,1-2H3
InChIKeyVEEMSRQNINZTPV-UHFFFAOYSA-N
XLogP1.40
TPSA53.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-butan-2-ylpyrazol-3-yl)methyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine
CID 106616724
2-[(1-butan-2-ylpyrazol-3-yl)methyl-propylamino]ethanol
CID 64777688
2-[(1-butan-2-ylpyrazol-3-yl)methyl]piperidine
CID 64778907
2-[(4-methyl-1,2,4-triazol-3-yl)methyl-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106618380
N-[(1-cyclopentylpyrazol-3-yl)methyl]-N-(piperidin-2-ylmethyl)ethanamine
CID 106632392
1-(azepan-2-yl)-2-(1-butan-2-ylpyrazol-3-yl)ethanone
CID 116582497
N'-[(1-butan-2-ylpyrazol-3-yl)methyl]-N'-ethyl-N-propan-2-ylethane-1,2-diamine
CID 64783778
2-[(2,4-difluorophenyl)methyl-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106606887
3-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-2-methylpropanenitrile
CID 106617970
N-[(1-cyclopentylpyrazol-3-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 106614482
2-[2-methylidenebutyl(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106618252
4-[[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]methyl]benzoic acid
CID 106617921

Frequently Asked Questions

What is the IUPAC name of 2-[(1-butan-2-ylpyrazol-3-yl)methyl-(pyrrolidin-2-ylmethyl)amino]ethanol?
The IUPAC name of 2-[(1-butan-2-ylpyrazol-3-yl)methyl-(pyrrolidin-2-ylmethyl)amino]ethanol (CID 106618052) is 2-[(1-butan-2-ylpyrazol-3-yl)methyl-(pyrrolidin-2-ylmethyl)amino]ethanol.
What is the SMILES notation for 2-[(1-butan-2-ylpyrazol-3-yl)methyl-(pyrrolidin-2-ylmethyl)amino]ethanol?
The canonical SMILES for 2-[(1-butan-2-ylpyrazol-3-yl)methyl-(pyrrolidin-2-ylmethyl)amino]ethanol is CCC(C)n1ccc(CN(CCO)CC2CCCN2)n1.
What is the InChIKey of 2-[(1-butan-2-ylpyrazol-3-yl)methyl-(pyrrolidin-2-ylmethyl)amino]ethanol?
The InChIKey is VEEMSRQNINZTPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c1-3-13(2)19-8-6-15(17-19)12-18(9-10-20)11-14-5-4-7-16-14/h6,8,13-14,16,20H,3-5,7,9-12H2,1-2H3.
What are the key properties of 2-[(1-butan-2-ylpyrazol-3-yl)methyl-(pyrrolidin-2-ylmethyl)amino]ethanol?
2-[(1-butan-2-ylpyrazol-3-yl)methyl-(pyrrolidin-2-ylmethyl)amino]ethanol has a molecular weight of 280.42 g/mol, XLogP of 1.40, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-butan-2-ylpyrazol-3-yl)methyl-(pyrrolidin-2-ylmethyl)amino]ethanol is sourced from PubChem (CID 106618052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).