4-[2-(2-methylpyrazol-3-yl)ethylamino]butan-1-ol

C10H19N3O — CID 103005787

IUPAC4-[2-(2-methylpyrazol-3-yl)ethylamino]butan-1-ol
SMILESCn1nccc1CCNCCCCO
InChIInChI=1S/C10H19N3O/c1-13-10(5-8-12-13)4-7-11-6-2-3-9-14/h5,8,11,14H,2-4,6-7,9H2,1H3
InChIKeyDPEMQBNGRSOSKB-UHFFFAOYSA-N
MW197.28 g/mol
LogP0.32
Rot. Bonds7

About 4-[2-(2-methylpyrazol-3-yl)ethylamino]butan-1-ol

4-[2-(2-methylpyrazol-3-yl)ethylamino]butan-1-ol (PubChem CID 103005787) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 4-[2-(2-methylpyrazol-3-yl)ethylamino]butan-1-ol.

Molecular Properties

Compound Name4-[2-(2-methylpyrazol-3-yl)ethylamino]butan-1-ol
PubChem CID103005787
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name4-[2-(2-methylpyrazol-3-yl)ethylamino]butan-1-ol
SMILESCn1nccc1CCNCCCCO
InChIInChI=1S/C10H19N3O/c1-13-10(5-8-12-13)4-7-11-6-2-3-9-14/h5,8,11,14H,2-4,6-7,9H2,1H3
InChIKeyDPEMQBNGRSOSKB-UHFFFAOYSA-N
XLogP0.32
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.32
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

6-[2-(2-methylpyrazol-3-yl)ethylamino]hexan-1-ol
CID 107703692
4-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]butan-1-amine
CID 106844750
N',N'-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]propane-1,3-diamine
CID 103000722
2-[2-[2-(2-methylpyrazol-3-yl)ethylamino]ethoxy]ethanol
CID 103001295
2-(2-methylpyrazol-3-yl)-N-(2-propan-2-yloxyethyl)ethanamine
CID 103002048
N-cyclopropyl-4-[2-(2-methylpyrazol-3-yl)ethylamino]butanamide
CID 103001655
3-[[2-(2-methylpyrazol-3-yl)ethylamino]methyl]pentan-3-ol
CID 103001512
2-(1-methylpyrazol-3-yl)-N-[2-(2-methylpyrazol-3-yl)ethyl]ethanamine
CID 114143932
6-(2-methylpyrazol-3-yl)hexane-1,4-diol
CID 106677975
2-(2-methylpyrazol-3-yl)-N-[2-(triazol-1-yl)ethyl]ethanamine
CID 103002040
N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-(2-methylpyrazol-3-yl)ethanamine
CID 103006076
N-[2-(5-bromothiophen-2-yl)ethyl]-2-(2-methylpyrazol-3-yl)ethanamine
CID 106047111

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-methylpyrazol-3-yl)ethylamino]butan-1-ol?
The IUPAC name of 4-[2-(2-methylpyrazol-3-yl)ethylamino]butan-1-ol (CID 103005787) is 4-[2-(2-methylpyrazol-3-yl)ethylamino]butan-1-ol.
What is the SMILES notation for 4-[2-(2-methylpyrazol-3-yl)ethylamino]butan-1-ol?
The canonical SMILES for 4-[2-(2-methylpyrazol-3-yl)ethylamino]butan-1-ol is Cn1nccc1CCNCCCCO.
What is the InChIKey of 4-[2-(2-methylpyrazol-3-yl)ethylamino]butan-1-ol?
The InChIKey is DPEMQBNGRSOSKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-13-10(5-8-12-13)4-7-11-6-2-3-9-14/h5,8,11,14H,2-4,6-7,9H2,1H3.
What are the key properties of 4-[2-(2-methylpyrazol-3-yl)ethylamino]butan-1-ol?
4-[2-(2-methylpyrazol-3-yl)ethylamino]butan-1-ol has a molecular weight of 197.28 g/mol, XLogP of 0.32, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methylpyrazol-3-yl)ethylamino]butan-1-ol is sourced from PubChem (CID 103005787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).