N-methyl-1-[5-methyl-2-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]methanamine

C16H23N3O — CID 64771069

IUPACN-methyl-1-[5-methyl-2-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]methanamine
SMILESCNCc1cc(C)ccc1OCc1ccn(C(C)C)n1
InChIInChI=1S/C16H23N3O/c1-12(2)19-8-7-15(18-19)11-20-16-6-5-13(3)9-14(16)10-17-4/h5-9,12,17H,10-11H2,1-4H3
InChIKeyUMLHJLWLXCHHRY-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.07
Rot. Bonds6

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

N-methyl-1-[5-methyl-2-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]methanamine (PubChem CID 64771069) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-methyl-1-[5-methyl-2-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[5-methyl-2-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]methanamine
PubChem CID64771069
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-methyl-1-[5-methyl-2-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]methanamine
SMILESCNCc1cc(C)ccc1OCc1ccn(C(C)C)n1
InChIInChI=1S/C16H23N3O/c1-12(2)19-8-7-15(18-19)11-20-16-6-5-13(3)9-14(16)10-17-4/h5-9,12,17H,10-11H2,1-4H3
InChIKeyUMLHJLWLXCHHRY-UHFFFAOYSA-N
XLogP3.07
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-[4-methyl-2-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanol
CID 79000441
3-[[4-bromo-2-(bromomethyl)phenoxy]methyl]-1-propan-2-ylpyrazole
CID 64772922
2-methyl-N-[[5-methyl-2-[(1-methylpyrazol-3-yl)methoxy]phenyl]methyl]propan-2-amine
CID 82867095
3-[[2-(chloromethyl)-4-fluorophenoxy]methyl]-1-propan-2-ylpyrazole
CID 107698895
1-[2-[(3,5-dimethylphenyl)methoxy]-5-methylphenyl]-N-methylmethanamine
CID 63322567
1-[2-[[1-(difluoromethyl)imidazol-2-yl]methoxy]-5-methylphenyl]-N-methylmethanamine
CID 63323142
3-[[2-(chloromethyl)phenoxy]methyl]-1-propan-2-ylpyrazole
CID 64772203
2-methoxy-5-methyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]aniline
CID 64771081
N-methyl-1-(5-methyl-2-pentoxyphenyl)methanamine
CID 63323494
1-[2-[(4-bromophenyl)methoxy]-5-methylphenyl]-N-methylmethanamine
CID 63323232
N-methyl-1-(5-methyl-2-propoxyphenyl)methanamine
CID 63323239
1-[6-methyl-3-[(1-propan-2-ylpyrazol-3-yl)methoxy]-2-pyridinyl]propan-2-amine
CID 79164689

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-methyl-2-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]methanamine?
The IUPAC name of N-methyl-1-[5-methyl-2-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]methanamine (CID 64771069) is N-methyl-1-[5-methyl-2-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]methanamine.
What is the SMILES notation for N-methyl-1-[5-methyl-2-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]methanamine?
The canonical SMILES for N-methyl-1-[5-methyl-2-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]methanamine is CNCc1cc(C)ccc1OCc1ccn(C(C)C)n1.
What is the InChIKey of N-methyl-1-[5-methyl-2-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]methanamine?
The InChIKey is UMLHJLWLXCHHRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-12(2)19-8-7-15(18-19)11-20-16-6-5-13(3)9-14(16)10-17-4/h5-9,12,17H,10-11H2,1-4H3.
What are the key properties of N-methyl-1-[5-methyl-2-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]methanamine?
N-methyl-1-[5-methyl-2-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]methanamine has a molecular weight of 273.38 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-methyl-2-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]methanamine is sourced from PubChem (CID 64771069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).