3-methoxy-N-[(5-methyl-1-propan-2-ylpyrazol-4-yl)methyl]propan-1-amine

C12H23N3O — CID 122166110

IUPAC3-methoxy-N-[(5-methyl-1-propan-2-ylpyrazol-4-yl)methyl]propan-1-amine
SMILESCOCCCNCc1cnn(C(C)C)c1C
InChIInChI=1S/C12H23N3O/c1-10(2)15-11(3)12(9-14-15)8-13-6-5-7-16-4/h9-10,13H,5-8H2,1-4H3
InChIKeyBUTIGMFPKYKKEC-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.90
Rot. Bonds7

About 3-methoxy-N-[(5-methyl-1-propan-2-ylpyrazol-4-yl)methyl]propan-1-amine

3-methoxy-N-[(5-methyl-1-propan-2-ylpyrazol-4-yl)methyl]propan-1-amine (PubChem CID 122166110) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 3-methoxy-N-[(5-methyl-1-propan-2-ylpyrazol-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-methoxy-N-[(5-methyl-1-propan-2-ylpyrazol-4-yl)methyl]propan-1-amine
PubChem CID122166110
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name3-methoxy-N-[(5-methyl-1-propan-2-ylpyrazol-4-yl)methyl]propan-1-amine
SMILESCOCCCNCc1cnn(C(C)C)c1C
InChIInChI=1S/C12H23N3O/c1-10(2)15-11(3)12(9-14-15)8-13-6-5-7-16-4/h9-10,13H,5-8H2,1-4H3
InChIKeyBUTIGMFPKYKKEC-UHFFFAOYSA-N
XLogP1.90
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-methoxy-N-[(5-methyl-1-propan-2-ylpyrazol-4-yl)methyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1-butan-2-yl-5-methylpyrazol-4-yl)methyl]-2-methoxyethanamine
CID 66442755
2-methoxy-N-[[5-methyl-1-(4-methylpentyl)pyrazol-4-yl]methyl]ethanamine
CID 83169846
N-[(1-ethyl-4-methylpyrazol-5-yl)methyl]-3-methoxypropan-1-amine
CID 122166024
1-(furan-2-yl)-N-[(5-methyl-1-propan-2-ylpyrazol-4-yl)methyl]methanamine;hydrochloride
CID 126965180
1-[2-(difluoromethyl)pyrazol-3-yl]-N-[(5-methyl-1-propan-2-ylpyrazol-4-yl)methyl]methanamine
CID 122167328
1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(3-methoxypropyl)thiourea
CID 19324710
N-[(5-methyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-(1-propylpyrazol-4-yl)methanamine
CID 122167320
3-methoxy-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]propan-1-amine;hydrochloride
CID 126966892
N-[(1-cycloheptyl-5-methylpyrazol-4-yl)methyl]-2-methoxyethanamine
CID 66442547
N-[[5-cyclopropyl-1-(1-cyclopropylethyl)pyrazol-4-yl]methyl]-2-methoxyethanamine
CID 66441961
2-methoxy-N-[[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]ethanamine
CID 66440069
2-methoxy-N-[[5-methyl-1-(2-methylidenebutyl)pyrazol-4-yl]methyl]ethanamine
CID 66036894

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[(5-methyl-1-propan-2-ylpyrazol-4-yl)methyl]propan-1-amine?
The IUPAC name of 3-methoxy-N-[(5-methyl-1-propan-2-ylpyrazol-4-yl)methyl]propan-1-amine (CID 122166110) is 3-methoxy-N-[(5-methyl-1-propan-2-ylpyrazol-4-yl)methyl]propan-1-amine.
What is the SMILES notation for 3-methoxy-N-[(5-methyl-1-propan-2-ylpyrazol-4-yl)methyl]propan-1-amine?
The canonical SMILES for 3-methoxy-N-[(5-methyl-1-propan-2-ylpyrazol-4-yl)methyl]propan-1-amine is COCCCNCc1cnn(C(C)C)c1C.
What is the InChIKey of 3-methoxy-N-[(5-methyl-1-propan-2-ylpyrazol-4-yl)methyl]propan-1-amine?
The InChIKey is BUTIGMFPKYKKEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-10(2)15-11(3)12(9-14-15)8-13-6-5-7-16-4/h9-10,13H,5-8H2,1-4H3.
What are the key properties of 3-methoxy-N-[(5-methyl-1-propan-2-ylpyrazol-4-yl)methyl]propan-1-amine?
3-methoxy-N-[(5-methyl-1-propan-2-ylpyrazol-4-yl)methyl]propan-1-amine has a molecular weight of 225.34 g/mol, XLogP of 1.90, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[(5-methyl-1-propan-2-ylpyrazol-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 122166110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).