6-[2-(4-methylpyrazol-1-yl)ethylamino]hexan-1-ol

C12H23N3O — CID 103737929

IUPAC6-[2-(4-methylpyrazol-1-yl)ethylamino]hexan-1-ol
SMILESCc1cnn(CCNCCCCCCO)c1
InChIInChI=1S/C12H23N3O/c1-12-10-14-15(11-12)8-7-13-6-4-2-3-5-9-16/h10-11,13,16H,2-9H2,1H3
InChIKeyFKFDNIKMMQSVFQ-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.33
Rot. Bonds9

About 6-[2-(4-methylpyrazol-1-yl)ethylamino]hexan-1-ol

6-[2-(4-methylpyrazol-1-yl)ethylamino]hexan-1-ol (PubChem CID 103737929) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 6-[2-(4-methylpyrazol-1-yl)ethylamino]hexan-1-ol.

Molecular Properties

Compound Name6-[2-(4-methylpyrazol-1-yl)ethylamino]hexan-1-ol
PubChem CID103737929
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name6-[2-(4-methylpyrazol-1-yl)ethylamino]hexan-1-ol
SMILESCc1cnn(CCNCCCCCCO)c1
InChIInChI=1S/C12H23N3O/c1-12-10-14-15(11-12)8-7-13-6-4-2-3-5-9-16/h10-11,13,16H,2-9H2,1H3
InChIKeyFKFDNIKMMQSVFQ-UHFFFAOYSA-N
XLogP1.33
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N',N'-dimethyl-N-[2-(4-methylpyrazol-1-yl)ethyl]propane-1,3-diamine
CID 62565065
3-methoxy-N-[2-(4-methylpyrazol-1-yl)ethyl]propan-1-amine
CID 62565456
4-[2-(4-methylpyrazol-1-yl)ethylamino]pentan-1-ol
CID 115972661
N-(2-methoxyethyl)-2-(4-methylpyrazol-1-yl)ethanamine
CID 62565066
3-(2-methoxyethoxy)-N-[2-(4-methylpyrazol-1-yl)ethyl]propan-1-amine
CID 114130438
N,N-dimethyl-3-[2-(4-methylpyrazol-1-yl)ethylamino]propane-1-sulfonamide
CID 56780256
N-(2-butoxyethyl)-2-(4-methylpyrazol-1-yl)ethanamine
CID 62566750
(Z)-3-chloro-2-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]prop-2-en-1-amine
CID 106438289
N-[(4-methylphenyl)methyl]-2-(4-methylpyrazol-1-yl)ethanamine
CID 103649741
N-[3-(4-methylpyrazol-1-yl)propyl]acetamide
CID 19328226
6-[[2-(4-methylpyrazol-1-yl)ethylamino]methyl]pyridin-3-ol
CID 113384054
(4-methylpyrazol-1-yl)methanol
CID 7172181

Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-methylpyrazol-1-yl)ethylamino]hexan-1-ol?
The IUPAC name of 6-[2-(4-methylpyrazol-1-yl)ethylamino]hexan-1-ol (CID 103737929) is 6-[2-(4-methylpyrazol-1-yl)ethylamino]hexan-1-ol.
What is the SMILES notation for 6-[2-(4-methylpyrazol-1-yl)ethylamino]hexan-1-ol?
The canonical SMILES for 6-[2-(4-methylpyrazol-1-yl)ethylamino]hexan-1-ol is Cc1cnn(CCNCCCCCCO)c1.
What is the InChIKey of 6-[2-(4-methylpyrazol-1-yl)ethylamino]hexan-1-ol?
The InChIKey is FKFDNIKMMQSVFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-12-10-14-15(11-12)8-7-13-6-4-2-3-5-9-16/h10-11,13,16H,2-9H2,1H3.
What are the key properties of 6-[2-(4-methylpyrazol-1-yl)ethylamino]hexan-1-ol?
6-[2-(4-methylpyrazol-1-yl)ethylamino]hexan-1-ol has a molecular weight of 225.34 g/mol, XLogP of 1.33, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-methylpyrazol-1-yl)ethylamino]hexan-1-ol is sourced from PubChem (CID 103737929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).