(4-methoxy-1-methylpyrazol-5-yl)-(4-propan-2-ylphenyl)methanamine

C15H21N3O — CID 114646467

IUPAC(4-methoxy-1-methylpyrazol-5-yl)-(4-propan-2-ylphenyl)methanamine
SMILESCOc1cnn(C)c1C(N)c1ccc(C(C)C)cc1
InChIInChI=1S/C15H21N3O/c1-10(2)11-5-7-12(8-6-11)14(16)15-13(19-4)9-17-18(15)3/h5-10,14H,16H2,1-4H3
InChIKeyXHNUUYVOVPMYDX-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.60
Rot. Bonds4

About (4-methoxy-1-methylpyrazol-5-yl)-(4-propan-2-ylphenyl)methanamine

(4-methoxy-1-methylpyrazol-5-yl)-(4-propan-2-ylphenyl)methanamine (PubChem CID 114646467) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is (4-methoxy-1-methylpyrazol-5-yl)-(4-propan-2-ylphenyl)methanamine.

Molecular Properties

Compound Name(4-methoxy-1-methylpyrazol-5-yl)-(4-propan-2-ylphenyl)methanamine
PubChem CID114646467
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name(4-methoxy-1-methylpyrazol-5-yl)-(4-propan-2-ylphenyl)methanamine
SMILESCOc1cnn(C)c1C(N)c1ccc(C(C)C)cc1
InChIInChI=1S/C15H21N3O/c1-10(2)11-5-7-12(8-6-11)14(16)15-13(19-4)9-17-18(15)3/h5-10,14H,16H2,1-4H3
InChIKeyXHNUUYVOVPMYDX-UHFFFAOYSA-N
XLogP2.60
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methoxy-3-methylphenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine
CID 114659334
(3-bromo-4-chlorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine
CID 114659728
1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
CID 114646478
(4-methoxy-1-methylpyrazol-5-yl)-(5-methyl-3-pyridinyl)methanamine
CID 105186353
(4-methoxy-1-methylpyrazol-5-yl)-(2,3,4,5,6-pentafluorophenyl)methanamine
CID 105046927
(2,3-dichlorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine
CID 105047303
(3-chloro-2-pyridinyl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine
CID 103443925
(3-bromo-5-methylphenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine
CID 105047093
1-(4-methoxy-1-methylpyrazol-5-yl)-2-methylbutan-1-amine
CID 114651682
(3-bromo-4-methoxyphenyl)-(4-bromo-1-methylpyrazol-5-yl)methanamine
CID 105054199
1-(4-methoxy-1-methylpyrazol-5-yl)ethylhydrazine
CID 105201324
2-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)-3-methylbutan-1-amine
CID 114661194

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-1-methylpyrazol-5-yl)-(4-propan-2-ylphenyl)methanamine?
The IUPAC name of (4-methoxy-1-methylpyrazol-5-yl)-(4-propan-2-ylphenyl)methanamine (CID 114646467) is (4-methoxy-1-methylpyrazol-5-yl)-(4-propan-2-ylphenyl)methanamine.
What is the SMILES notation for (4-methoxy-1-methylpyrazol-5-yl)-(4-propan-2-ylphenyl)methanamine?
The canonical SMILES for (4-methoxy-1-methylpyrazol-5-yl)-(4-propan-2-ylphenyl)methanamine is COc1cnn(C)c1C(N)c1ccc(C(C)C)cc1.
What is the InChIKey of (4-methoxy-1-methylpyrazol-5-yl)-(4-propan-2-ylphenyl)methanamine?
The InChIKey is XHNUUYVOVPMYDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-10(2)11-5-7-12(8-6-11)14(16)15-13(19-4)9-17-18(15)3/h5-10,14H,16H2,1-4H3.
What are the key properties of (4-methoxy-1-methylpyrazol-5-yl)-(4-propan-2-ylphenyl)methanamine?
(4-methoxy-1-methylpyrazol-5-yl)-(4-propan-2-ylphenyl)methanamine has a molecular weight of 259.35 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-1-methylpyrazol-5-yl)-(4-propan-2-ylphenyl)methanamine is sourced from PubChem (CID 114646467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).