4-methoxy-3-methyl-1-(2-phenylpyrazol-3-yl)butan-1-amine

C15H21N3O — CID 107332084

IUPAC4-methoxy-3-methyl-1-(2-phenylpyrazol-3-yl)butan-1-amine
SMILESCOCC(C)CC(N)c1ccnn1-c1ccccc1
InChIInChI=1S/C15H21N3O/c1-12(11-19-2)10-14(16)15-8-9-17-18(15)13-6-4-3-5-7-13/h3-9,12,14H,10-11,16H2,1-2H3
InChIKeyAICFNMPWKZGPNH-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.54
Rot. Bonds6

About 4-methoxy-3-methyl-1-(2-phenylpyrazol-3-yl)butan-1-amine

4-methoxy-3-methyl-1-(2-phenylpyrazol-3-yl)butan-1-amine (PubChem CID 107332084) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 4-methoxy-3-methyl-1-(2-phenylpyrazol-3-yl)butan-1-amine.

Molecular Properties

Compound Name4-methoxy-3-methyl-1-(2-phenylpyrazol-3-yl)butan-1-amine
PubChem CID107332084
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name4-methoxy-3-methyl-1-(2-phenylpyrazol-3-yl)butan-1-amine
SMILESCOCC(C)CC(N)c1ccnn1-c1ccccc1
InChIInChI=1S/C15H21N3O/c1-12(11-19-2)10-14(16)15-8-9-17-18(15)13-6-4-3-5-7-13/h3-9,12,14H,10-11,16H2,1-2H3
InChIKeyAICFNMPWKZGPNH-UHFFFAOYSA-N
XLogP2.54
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-N-methyl-1-(2-phenylpyrazol-3-yl)ethanamine
CID 107330555
2-(2-phenylpyrazol-3-yl)propan-1-amine
CID 105453704
3-phenyl-1-(2-phenylpyrazol-3-yl)propan-1-amine
CID 107330546
1-(2-phenylpyrazol-3-yl)-2-pyridin-3-ylethanamine
CID 107330584
2-(2-methyl-1,3-thiazol-4-yl)-1-(2-phenylpyrazol-3-yl)ethanamine
CID 107330598
2-(1,3-dioxolan-2-yl)-1-(2-phenylpyrazol-3-yl)ethanamine
CID 107332163
N-ethyl-3-methyl-1-(2-phenylpyrazol-3-yl)butan-1-amine
CID 107330516
5-(methoxymethyl)-1-phenylpyrazole
CID 13434116
1-(1-benzofuran-2-yl)-4-methoxy-3-methylbutan-1-amine
CID 105184765
2-ethoxy-1-(2-phenylpyrazol-3-yl)pentan-1-amine
CID 107330887
(5-methylfuran-2-yl)-(2-phenylpyrazol-3-yl)methanamine
CID 107332054
(2-methylphenyl)-(2-phenylpyrazol-3-yl)methanamine
CID 107330490

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-methyl-1-(2-phenylpyrazol-3-yl)butan-1-amine?
The IUPAC name of 4-methoxy-3-methyl-1-(2-phenylpyrazol-3-yl)butan-1-amine (CID 107332084) is 4-methoxy-3-methyl-1-(2-phenylpyrazol-3-yl)butan-1-amine.
What is the SMILES notation for 4-methoxy-3-methyl-1-(2-phenylpyrazol-3-yl)butan-1-amine?
The canonical SMILES for 4-methoxy-3-methyl-1-(2-phenylpyrazol-3-yl)butan-1-amine is COCC(C)CC(N)c1ccnn1-c1ccccc1.
What is the InChIKey of 4-methoxy-3-methyl-1-(2-phenylpyrazol-3-yl)butan-1-amine?
The InChIKey is AICFNMPWKZGPNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-12(11-19-2)10-14(16)15-8-9-17-18(15)13-6-4-3-5-7-13/h3-9,12,14H,10-11,16H2,1-2H3.
What are the key properties of 4-methoxy-3-methyl-1-(2-phenylpyrazol-3-yl)butan-1-amine?
4-methoxy-3-methyl-1-(2-phenylpyrazol-3-yl)butan-1-amine has a molecular weight of 259.35 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-methyl-1-(2-phenylpyrazol-3-yl)butan-1-amine is sourced from PubChem (CID 107332084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).