4-(1,5-dimethylpyrazol-4-yl)-N-(2-methoxyethyl)butan-1-amine

C12H23N3O — CID 79584245

IUPAC4-(1,5-dimethylpyrazol-4-yl)-N-(2-methoxyethyl)butan-1-amine
SMILESCOCCNCCCCc1cnn(C)c1C
InChIInChI=1S/C12H23N3O/c1-11-12(10-14-15(11)2)6-4-5-7-13-8-9-16-3/h10,13H,4-9H2,1-3H3
InChIKeyPRTHIRFCNJEMKO-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.29
Rot. Bonds8

About 4-(1,5-dimethylpyrazol-4-yl)-N-(2-methoxyethyl)butan-1-amine

4-(1,5-dimethylpyrazol-4-yl)-N-(2-methoxyethyl)butan-1-amine (PubChem CID 79584245) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 4-(1,5-dimethylpyrazol-4-yl)-N-(2-methoxyethyl)butan-1-amine.

Molecular Properties

Compound Name4-(1,5-dimethylpyrazol-4-yl)-N-(2-methoxyethyl)butan-1-amine
PubChem CID79584245
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name4-(1,5-dimethylpyrazol-4-yl)-N-(2-methoxyethyl)butan-1-amine
SMILESCOCCNCCCCc1cnn(C)c1C
InChIInChI=1S/C12H23N3O/c1-11-12(10-14-15(11)2)6-4-5-7-13-8-9-16-3/h10,13H,4-9H2,1-3H3
InChIKeyPRTHIRFCNJEMKO-UHFFFAOYSA-N
XLogP1.29
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(1,5-dimethylpyrazol-4-yl)-N-methylbutan-1-amine
CID 79583961
N-(2-methoxyethyl)-5-(4-methylphenyl)pentan-1-amine
CID 65300901
4-(2-chloro-4,5-dimethylphenyl)-N-(2-methoxyethyl)butan-1-amine
CID 113319723
2-(4-bromo-1-methylpyrazol-5-yl)-N-(2-methoxyethyl)ethanamine
CID 114662838
1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(3-methoxypropyl)thiourea
CID 19324710
N,N'-bis(2-methoxyethyl)butane-1,4-diamine
CID 62568234
3-[4-(2-methoxyethylamino)butyl]pyridin-4-amine
CID 64502840
2-[(1,5-dimethylpyrazol-4-yl)methylidene]-N-(2-methoxyethyl)-3-methylbutan-1-amine
CID 79595252
4-(4-chloro-2,5-dimethylphenyl)-N-(2-methoxyethyl)butan-1-amine
CID 65302883
N-[2-(1,5-dimethylpyrazol-4-yl)ethyl]propan-2-amine
CID 79596541
5-(4-bromo-2,5-dimethylphenyl)-N-(2-methoxyethyl)pentan-1-amine
CID 65305614
N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methoxybutan-2-amine
CID 79579267

Frequently Asked Questions

What is the IUPAC name of 4-(1,5-dimethylpyrazol-4-yl)-N-(2-methoxyethyl)butan-1-amine?
The IUPAC name of 4-(1,5-dimethylpyrazol-4-yl)-N-(2-methoxyethyl)butan-1-amine (CID 79584245) is 4-(1,5-dimethylpyrazol-4-yl)-N-(2-methoxyethyl)butan-1-amine.
What is the SMILES notation for 4-(1,5-dimethylpyrazol-4-yl)-N-(2-methoxyethyl)butan-1-amine?
The canonical SMILES for 4-(1,5-dimethylpyrazol-4-yl)-N-(2-methoxyethyl)butan-1-amine is COCCNCCCCc1cnn(C)c1C.
What is the InChIKey of 4-(1,5-dimethylpyrazol-4-yl)-N-(2-methoxyethyl)butan-1-amine?
The InChIKey is PRTHIRFCNJEMKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-11-12(10-14-15(11)2)6-4-5-7-13-8-9-16-3/h10,13H,4-9H2,1-3H3.
What are the key properties of 4-(1,5-dimethylpyrazol-4-yl)-N-(2-methoxyethyl)butan-1-amine?
4-(1,5-dimethylpyrazol-4-yl)-N-(2-methoxyethyl)butan-1-amine has a molecular weight of 225.34 g/mol, XLogP of 1.29, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,5-dimethylpyrazol-4-yl)-N-(2-methoxyethyl)butan-1-amine is sourced from PubChem (CID 79584245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).