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

C16H23N3O — CID 114646478

IUPAC1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
SMILESCNC(c1ccc(C(C)C)cc1)c1c(OC)cnn1C
InChIInChI=1S/C16H23N3O/c1-11(2)12-6-8-13(9-7-12)15(17-3)16-14(20-5)10-18-19(16)4/h6-11,15,17H,1-5H3
InChIKeyHXIGAGHDIOJJDI-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.86
Rot. Bonds5

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

1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine (PubChem CID 114646478) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine.

Molecular Properties

Compound Name1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
PubChem CID114646478
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
SMILESCNC(c1ccc(C(C)C)cc1)c1c(OC)cnn1C
InChIInChI=1S/C16H23N3O/c1-11(2)12-6-8-13(9-7-12)15(17-3)16-14(20-5)10-18-19(16)4/h6-11,15,17H,1-5H3
InChIKeyHXIGAGHDIOJJDI-UHFFFAOYSA-N
XLogP2.86
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-1-(4-methylsulfanylphenyl)methanamine
CID 105047260
1-(4-chloro-3-methylphenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylmethanamine
CID 105047226
1-(4-ethylsulfanylphenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylmethanamine
CID 106848978
1-(3-chlorophenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylmethanamine
CID 114647006
1-(3,5-difluorophenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylmethanamine
CID 114648782
(4-methoxy-1-methylpyrazol-5-yl)-(4-propan-2-ylphenyl)methanamine
CID 114646467
1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-1-quinoxalin-6-ylmethanamine
CID 114652591
1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine
CID 105186368
1-(3-chloro-2-methylphenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylmethanamine
CID 107103127
1-(4-chloro-2-methoxyphenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylmethanamine
CID 105046921
N-[(4-chlorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]ethanamine
CID 114646379
1-(3-bromo-4-methoxyphenyl)-1-(4-chloro-1-methylpyrazol-5-yl)-N-methylmethanamine
CID 105046686

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine?
The IUPAC name of 1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine (CID 114646478) is 1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine.
What is the SMILES notation for 1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine?
The canonical SMILES for 1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine is CNC(c1ccc(C(C)C)cc1)c1c(OC)cnn1C.
What is the InChIKey of 1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine?
The InChIKey is HXIGAGHDIOJJDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-11(2)12-6-8-13(9-7-12)15(17-3)16-14(20-5)10-18-19(16)4/h6-11,15,17H,1-5H3.
What are the key properties of 1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine?
1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine has a molecular weight of 273.38 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine is sourced from PubChem (CID 114646478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).