3-ethyl-N-[[3-(methoxymethyl)phenyl]methyl]-1-methylpyrazol-4-amine

C15H21N3O — CID 103909192

IUPAC3-ethyl-N-[[3-(methoxymethyl)phenyl]methyl]-1-methylpyrazol-4-amine
SMILESCCc1nn(C)cc1NCc1cccc(COC)c1
InChIInChI=1S/C15H21N3O/c1-4-14-15(10-18(2)17-14)16-9-12-6-5-7-13(8-12)11-19-3/h5-8,10,16H,4,9,11H2,1-3H3
InChIKeyCZURUOWIKBLPTR-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.74
Rot. Bonds6

About 3-ethyl-N-[[3-(methoxymethyl)phenyl]methyl]-1-methylpyrazol-4-amine

3-ethyl-N-[[3-(methoxymethyl)phenyl]methyl]-1-methylpyrazol-4-amine (PubChem CID 103909192) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 3-ethyl-N-[[3-(methoxymethyl)phenyl]methyl]-1-methylpyrazol-4-amine.

Molecular Properties

Compound Name3-ethyl-N-[[3-(methoxymethyl)phenyl]methyl]-1-methylpyrazol-4-amine
PubChem CID103909192
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name3-ethyl-N-[[3-(methoxymethyl)phenyl]methyl]-1-methylpyrazol-4-amine
SMILESCCc1nn(C)cc1NCc1cccc(COC)c1
InChIInChI=1S/C15H21N3O/c1-4-14-15(10-18(2)17-14)16-9-12-6-5-7-13(8-12)11-19-3/h5-8,10,16H,4,9,11H2,1-3H3
InChIKeyCZURUOWIKBLPTR-UHFFFAOYSA-N
XLogP2.74
TPSA39.08 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 ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-(methoxymethyl)aniline
CID 112549349
2-ethoxy-4-[[(3-ethyl-1-methylpyrazol-4-yl)amino]methyl]phenol
CID 107462470
3-ethyl-1-methyl-N-(1H-pyrrol-3-ylmethyl)pyrazol-4-amine
CID 115897990
3-ethyl-1-methyl-N-[(3,4,5-trifluorophenyl)methyl]pyrazol-4-amine
CID 103909014
1-[3-(methoxymethyl)phenyl]-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]methanamine
CID 60957183
4-bromo-2-ethyl-N-[[3-(methoxymethyl)phenyl]methyl]aniline
CID 81292705
4-[[(3-ethyl-1-methylpyrazol-4-yl)amino]methyl]pyridine-2-carbonitrile
CID 107462739
N-[(2,5-dimethoxyphenyl)methyl]-3-ethyl-1-methylpyrazol-4-amine
CID 103909000
N-[[4-(difluoromethyl)phenyl]methyl]-3-ethyl-1-methylpyrazol-4-amine
CID 107462384
N-[(2-chlorophenyl)methyl]-3-ethyl-1-methylpyrazol-4-amine
CID 103909171
3-ethyl-1-methyl-N-(3-phenylpropyl)pyrazol-4-amine
CID 107462469
N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-3-ethyl-1-methylpyrazol-4-amine
CID 103909106

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[[3-(methoxymethyl)phenyl]methyl]-1-methylpyrazol-4-amine?
The IUPAC name of 3-ethyl-N-[[3-(methoxymethyl)phenyl]methyl]-1-methylpyrazol-4-amine (CID 103909192) is 3-ethyl-N-[[3-(methoxymethyl)phenyl]methyl]-1-methylpyrazol-4-amine.
What is the SMILES notation for 3-ethyl-N-[[3-(methoxymethyl)phenyl]methyl]-1-methylpyrazol-4-amine?
The canonical SMILES for 3-ethyl-N-[[3-(methoxymethyl)phenyl]methyl]-1-methylpyrazol-4-amine is CCc1nn(C)cc1NCc1cccc(COC)c1.
What is the InChIKey of 3-ethyl-N-[[3-(methoxymethyl)phenyl]methyl]-1-methylpyrazol-4-amine?
The InChIKey is CZURUOWIKBLPTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-4-14-15(10-18(2)17-14)16-9-12-6-5-7-13(8-12)11-19-3/h5-8,10,16H,4,9,11H2,1-3H3.
What are the key properties of 3-ethyl-N-[[3-(methoxymethyl)phenyl]methyl]-1-methylpyrazol-4-amine?
3-ethyl-N-[[3-(methoxymethyl)phenyl]methyl]-1-methylpyrazol-4-amine has a molecular weight of 259.35 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[[3-(methoxymethyl)phenyl]methyl]-1-methylpyrazol-4-amine is sourced from PubChem (CID 103909192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).