2-methyl-5-[1-(1H-pyrazol-5-yl)ethylamino]pentan-1-ol

C11H21N3O — CID 106157473

IUPAC2-methyl-5-[1-(1H-pyrazol-5-yl)ethylamino]pentan-1-ol
SMILESCC(CO)CCCNC(C)c1ccn[nH]1
InChIInChI=1S/C11H21N3O/c1-9(8-15)4-3-6-12-10(2)11-5-7-13-14-11/h5,7,9-10,12,15H,3-4,6,8H2,1-2H3,(H,13,14)
InChIKeyARYJUOZCQWPHOK-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.47
Rot. Bonds7

About 2-methyl-5-[1-(1H-pyrazol-5-yl)ethylamino]pentan-1-ol

2-methyl-5-[1-(1H-pyrazol-5-yl)ethylamino]pentan-1-ol (PubChem CID 106157473) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 2-methyl-5-[1-(1H-pyrazol-5-yl)ethylamino]pentan-1-ol.

Molecular Properties

Compound Name2-methyl-5-[1-(1H-pyrazol-5-yl)ethylamino]pentan-1-ol
PubChem CID106157473
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name2-methyl-5-[1-(1H-pyrazol-5-yl)ethylamino]pentan-1-ol
SMILESCC(CO)CCCNC(C)c1ccn[nH]1
InChIInChI=1S/C11H21N3O/c1-9(8-15)4-3-6-12-10(2)11-5-7-13-14-11/h5,7,9-10,12,15H,3-4,6,8H2,1-2H3,(H,13,14)
InChIKeyARYJUOZCQWPHOK-UHFFFAOYSA-N
XLogP1.47
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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2-[1-[(5-hydroxy-4-methylpentyl)amino]ethyl]benzene-1,3-diol
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4-[2-[1-(1H-pyrazol-5-yl)ethylamino]ethyl]phenol
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3-[[1-(1H-pyrazol-5-yl)ethylamino]methyl]hexan-1-ol
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N-(2-ethoxyethyl)-1-(1H-pyrazol-5-yl)ethanamine
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2-methyl-5-(1-thiophen-2-ylethylamino)pentan-1-ol
CID 103905543
5-[1-(2,6-difluorophenyl)ethylamino]-2-methylpentan-1-ol
CID 103905568
1,1-dimethyl-3-[2-[1-(1H-pyrazol-5-yl)ethylamino]ethyl]urea
CID 83116402

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[1-(1H-pyrazol-5-yl)ethylamino]pentan-1-ol?
The IUPAC name of 2-methyl-5-[1-(1H-pyrazol-5-yl)ethylamino]pentan-1-ol (CID 106157473) is 2-methyl-5-[1-(1H-pyrazol-5-yl)ethylamino]pentan-1-ol.
What is the SMILES notation for 2-methyl-5-[1-(1H-pyrazol-5-yl)ethylamino]pentan-1-ol?
The canonical SMILES for 2-methyl-5-[1-(1H-pyrazol-5-yl)ethylamino]pentan-1-ol is CC(CO)CCCNC(C)c1ccn[nH]1.
What is the InChIKey of 2-methyl-5-[1-(1H-pyrazol-5-yl)ethylamino]pentan-1-ol?
The InChIKey is ARYJUOZCQWPHOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-9(8-15)4-3-6-12-10(2)11-5-7-13-14-11/h5,7,9-10,12,15H,3-4,6,8H2,1-2H3,(H,13,14).
What are the key properties of 2-methyl-5-[1-(1H-pyrazol-5-yl)ethylamino]pentan-1-ol?
2-methyl-5-[1-(1H-pyrazol-5-yl)ethylamino]pentan-1-ol has a molecular weight of 211.31 g/mol, XLogP of 1.47, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[1-(1H-pyrazol-5-yl)ethylamino]pentan-1-ol is sourced from PubChem (CID 106157473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).