4-[(3-ethyl-1-methylpyrazol-4-yl)amino]butan-1-ol

C10H19N3O — CID 107462832

IUPAC4-[(3-ethyl-1-methylpyrazol-4-yl)amino]butan-1-ol
SMILESCCc1nn(C)cc1NCCCCO
InChIInChI=1S/C10H19N3O/c1-3-9-10(8-13(2)12-9)11-6-4-5-7-14/h8,11,14H,3-7H2,1-2H3
InChIKeyMJQBRDNTKSOKLS-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.17
Rot. Bonds6

About 4-[(3-ethyl-1-methylpyrazol-4-yl)amino]butan-1-ol

4-[(3-ethyl-1-methylpyrazol-4-yl)amino]butan-1-ol (PubChem CID 107462832) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 4-[(3-ethyl-1-methylpyrazol-4-yl)amino]butan-1-ol.

Molecular Properties

Compound Name4-[(3-ethyl-1-methylpyrazol-4-yl)amino]butan-1-ol
PubChem CID107462832
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name4-[(3-ethyl-1-methylpyrazol-4-yl)amino]butan-1-ol
SMILESCCc1nn(C)cc1NCCCCO
InChIInChI=1S/C10H19N3O/c1-3-9-10(8-13(2)12-9)11-6-4-5-7-14/h8,11,14H,3-7H2,1-2H3
InChIKeyMJQBRDNTKSOKLS-UHFFFAOYSA-N
XLogP1.17
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.17
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

3-ethyl-1-methyl-N-pentylpyrazol-4-amine
CID 107462468
5-[(3-ethyl-1-methylpyrazol-4-yl)amino]pentanenitrile
CID 107462882
3-ethyl-1-methyl-N-(3-phenylpropyl)pyrazol-4-amine
CID 107462469
N-(2,2-dimethylpropyl)-3-ethyl-1-methylpyrazol-4-amine
CID 115898031
3-ethyl-1-methyl-N-(3-phenoxypropyl)pyrazol-4-amine
CID 107462816
3-ethyl-N-(6-hydroxyhexyl)-1-methylpyrazole-4-carboxamide
CID 103919211
3-ethyl-N-[2-(2-methoxyethoxy)ethyl]-1-methylpyrazol-4-amine
CID 107462838
2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-N-methylacetamide
CID 107462767
1-[2-[(3-ethyl-1-methylpyrazol-4-yl)amino]ethyl]triazole-4-carboxylic acid
CID 107463799
(3-ethyl-1-methylpyrazol-4-yl)hydrazine
CID 107462607
3-ethyl-1-methyl-N-[2-(3-methylbutoxy)ethyl]pyrazol-4-amine
CID 107462730
N-butyl-3-ethyl-1-pentylpyrazol-4-amine
CID 56609100

Frequently Asked Questions

What is the IUPAC name of 4-[(3-ethyl-1-methylpyrazol-4-yl)amino]butan-1-ol?
The IUPAC name of 4-[(3-ethyl-1-methylpyrazol-4-yl)amino]butan-1-ol (CID 107462832) is 4-[(3-ethyl-1-methylpyrazol-4-yl)amino]butan-1-ol.
What is the SMILES notation for 4-[(3-ethyl-1-methylpyrazol-4-yl)amino]butan-1-ol?
The canonical SMILES for 4-[(3-ethyl-1-methylpyrazol-4-yl)amino]butan-1-ol is CCc1nn(C)cc1NCCCCO.
What is the InChIKey of 4-[(3-ethyl-1-methylpyrazol-4-yl)amino]butan-1-ol?
The InChIKey is MJQBRDNTKSOKLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-3-9-10(8-13(2)12-9)11-6-4-5-7-14/h8,11,14H,3-7H2,1-2H3.
What are the key properties of 4-[(3-ethyl-1-methylpyrazol-4-yl)amino]butan-1-ol?
4-[(3-ethyl-1-methylpyrazol-4-yl)amino]butan-1-ol has a molecular weight of 197.28 g/mol, XLogP of 1.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-ethyl-1-methylpyrazol-4-yl)amino]butan-1-ol is sourced from PubChem (CID 107462832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).