1-[1-(2-methylpyrazol-3-yl)ethylamino]pentan-2-ol

C11H21N3O — CID 106758117

IUPAC1-[1-(2-methylpyrazol-3-yl)ethylamino]pentan-2-ol
SMILESCCCC(O)CNC(C)c1ccnn1C
InChIInChI=1S/C11H21N3O/c1-4-5-10(15)8-12-9(2)11-6-7-13-14(11)3/h6-7,9-10,12,15H,4-5,8H2,1-3H3
InChIKeyKXXGWWHZSNACIB-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.23
Rot. Bonds6

About 1-[1-(2-methylpyrazol-3-yl)ethylamino]pentan-2-ol

1-[1-(2-methylpyrazol-3-yl)ethylamino]pentan-2-ol (PubChem CID 106758117) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 1-[1-(2-methylpyrazol-3-yl)ethylamino]pentan-2-ol.

Molecular Properties

Compound Name1-[1-(2-methylpyrazol-3-yl)ethylamino]pentan-2-ol
PubChem CID106758117
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name1-[1-(2-methylpyrazol-3-yl)ethylamino]pentan-2-ol
SMILESCCCC(O)CNC(C)c1ccnn1C
InChIInChI=1S/C11H21N3O/c1-4-5-10(15)8-12-9(2)11-6-7-13-14(11)3/h6-7,9-10,12,15H,4-5,8H2,1-3H3
InChIKeyKXXGWWHZSNACIB-UHFFFAOYSA-N
XLogP1.23
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-N-[1-(2-methylpyrazol-3-yl)ethyl]butan-1-amine
CID 106758131
2,2-difluoro-N-[1-(2-methylpyrazol-3-yl)ethyl]ethanamine
CID 106757996
2-methyl-1-(2-methylpyrazol-3-yl)pentan-1-ol
CID 63960739
N'-[1-(2-methylpyrazol-3-yl)ethyl]ethane-1,2-diamine
CID 66657947
3-[[1-(2-methylpyrazol-3-yl)ethylamino]methyl]pentan-3-ol
CID 106757861
2-methyl-N-[1-(2-methylpyrazol-3-yl)ethyl]prop-2-en-1-amine
CID 106758152
2-[1-(2-methylpyrazol-3-yl)ethylamino]-N-propan-2-ylacetamide
CID 106757076
2,2-dimethyl-N-[1-(2-methylpyrazol-3-yl)ethyl]butan-1-amine
CID 106758170
N-benzyl-1-(2-methylpyrazol-3-yl)ethanamine
CID 106756794
N-[1-(2-methylpyrazol-3-yl)ethyl]-3-phenylbutan-1-amine
CID 106757786
1-(2-methylpyrazol-3-yl)hexan-1-ol
CID 63960741
3,3,3-trifluoro-N-[1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 106757793

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methylpyrazol-3-yl)ethylamino]pentan-2-ol?
The IUPAC name of 1-[1-(2-methylpyrazol-3-yl)ethylamino]pentan-2-ol (CID 106758117) is 1-[1-(2-methylpyrazol-3-yl)ethylamino]pentan-2-ol.
What is the SMILES notation for 1-[1-(2-methylpyrazol-3-yl)ethylamino]pentan-2-ol?
The canonical SMILES for 1-[1-(2-methylpyrazol-3-yl)ethylamino]pentan-2-ol is CCCC(O)CNC(C)c1ccnn1C.
What is the InChIKey of 1-[1-(2-methylpyrazol-3-yl)ethylamino]pentan-2-ol?
The InChIKey is KXXGWWHZSNACIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-4-5-10(15)8-12-9(2)11-6-7-13-14(11)3/h6-7,9-10,12,15H,4-5,8H2,1-3H3.
What are the key properties of 1-[1-(2-methylpyrazol-3-yl)ethylamino]pentan-2-ol?
1-[1-(2-methylpyrazol-3-yl)ethylamino]pentan-2-ol has a molecular weight of 211.31 g/mol, XLogP of 1.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methylpyrazol-3-yl)ethylamino]pentan-2-ol is sourced from PubChem (CID 106758117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).