N-[(3-methoxyphenyl)-(1-methylpyrazol-4-yl)methyl]ethanamine

C14H19N3O — CID 43492453

IUPACN-[(3-methoxyphenyl)-(1-methylpyrazol-4-yl)methyl]ethanamine
SMILESCCNC(c1cccc(OC)c1)c1cnn(C)c1
InChIInChI=1S/C14H19N3O/c1-4-15-14(12-9-16-17(2)10-12)11-6-5-7-13(8-11)18-3/h5-10,14-15H,4H2,1-3H3
InChIKeyQFWHIWKMUWUTHE-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.13
Rot. Bonds5

About N-[(3-methoxyphenyl)-(1-methylpyrazol-4-yl)methyl]ethanamine

N-[(3-methoxyphenyl)-(1-methylpyrazol-4-yl)methyl]ethanamine (PubChem CID 43492453) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)-(1-methylpyrazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)-(1-methylpyrazol-4-yl)methyl]ethanamine
PubChem CID43492453
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC NameN-[(3-methoxyphenyl)-(1-methylpyrazol-4-yl)methyl]ethanamine
SMILESCCNC(c1cccc(OC)c1)c1cnn(C)c1
InChIInChI=1S/C14H19N3O/c1-4-15-14(12-9-16-17(2)10-12)11-6-5-7-13(8-11)18-3/h5-10,14-15H,4H2,1-3H3
InChIKeyQFWHIWKMUWUTHE-UHFFFAOYSA-N
XLogP2.13
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-fluoro-4-methoxyphenyl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 81304751
N-[(1,5-dimethylpyrazol-4-yl)-(3-methoxyphenyl)methyl]ethanamine
CID 105086489
N-[[3-(difluoromethoxy)phenyl]-(1-methylpyrazol-4-yl)methyl]propan-1-amine
CID 43497241
N-[(3-methoxyphenyl)-(3-methylphenyl)methyl]ethanamine
CID 60797781
(1R)-1-(3-methoxyphenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanamine
CID 103001791
N-[(6-bromonaphthalen-2-yl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 115808523
[(1-ethylpyrazol-4-yl)-(3-methoxyphenyl)methyl]hydrazine
CID 105191655
N-[(3,5-dibromophenyl)-(3-methoxyphenyl)methyl]ethanamine
CID 107973557
N-[(2-fluoro-3-methoxyphenyl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 82808028
1-(3-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
CID 60945948
N-[(4-ethoxyphenyl)-(3-methoxyphenyl)methyl]ethanamine
CID 43489444
N-[(3,5-dichlorophenyl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 43492483

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)-(1-methylpyrazol-4-yl)methyl]ethanamine?
The IUPAC name of N-[(3-methoxyphenyl)-(1-methylpyrazol-4-yl)methyl]ethanamine (CID 43492453) is N-[(3-methoxyphenyl)-(1-methylpyrazol-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[(3-methoxyphenyl)-(1-methylpyrazol-4-yl)methyl]ethanamine?
The canonical SMILES for N-[(3-methoxyphenyl)-(1-methylpyrazol-4-yl)methyl]ethanamine is CCNC(c1cccc(OC)c1)c1cnn(C)c1.
What is the InChIKey of N-[(3-methoxyphenyl)-(1-methylpyrazol-4-yl)methyl]ethanamine?
The InChIKey is QFWHIWKMUWUTHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-4-15-14(12-9-16-17(2)10-12)11-6-5-7-13(8-11)18-3/h5-10,14-15H,4H2,1-3H3.
What are the key properties of N-[(3-methoxyphenyl)-(1-methylpyrazol-4-yl)methyl]ethanamine?
N-[(3-methoxyphenyl)-(1-methylpyrazol-4-yl)methyl]ethanamine has a molecular weight of 245.33 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)-(1-methylpyrazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 43492453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).