N-[(4-ethoxyphenyl)methyl]-1,3,5-trimethylpyrazol-4-amine

C15H21N3O — CID 28664320

IUPACN-[(4-ethoxyphenyl)methyl]-1,3,5-trimethylpyrazol-4-amine
SMILESCCOc1ccc(CNc2c(C)nn(C)c2C)cc1
InChIInChI=1S/C15H21N3O/c1-5-19-14-8-6-13(7-9-14)10-16-15-11(2)17-18(4)12(15)3/h6-9,16H,5,10H2,1-4H3
InChIKeyRBUDFFOEOTZYHG-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.05
Rot. Bonds5

About N-[(4-ethoxyphenyl)methyl]-1,3,5-trimethylpyrazol-4-amine

N-[(4-ethoxyphenyl)methyl]-1,3,5-trimethylpyrazol-4-amine (PubChem CID 28664320) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is N-[(4-ethoxyphenyl)methyl]-1,3,5-trimethylpyrazol-4-amine.

Molecular Properties

Compound NameN-[(4-ethoxyphenyl)methyl]-1,3,5-trimethylpyrazol-4-amine
PubChem CID28664320
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC NameN-[(4-ethoxyphenyl)methyl]-1,3,5-trimethylpyrazol-4-amine
SMILESCCOc1ccc(CNc2c(C)nn(C)c2C)cc1
InChIInChI=1S/C15H21N3O/c1-5-19-14-8-6-13(7-9-14)10-16-15-11(2)17-18(4)12(15)3/h6-9,16H,5,10H2,1-4H3
InChIKeyRBUDFFOEOTZYHG-UHFFFAOYSA-N
XLogP3.05
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[[(1,3,5-trimethylpyrazol-4-yl)amino]methyl]phenoxy]acetamide
CID 28664404
N-[(4-tert-butylphenyl)methyl]-1,3,5-trimethylpyrazol-4-amine
CID 28554082
N-[(4-fluorophenyl)methyl]-1,3,5-trimethylpyrazol-4-amine
CID 28664304
N-[(4-bromophenyl)methyl]-1,3,5-trimethylpyrazol-4-amine
CID 28664301
N-[[4-(diethylamino)phenyl]methyl]-1,3,5-trimethylpyrazol-4-amine
CID 28664920
methyl 4-[[(1,3,5-trimethylpyrazol-4-yl)amino]methyl]benzoate
CID 28664573
1,3,5-trimethyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]pyrazol-4-amine
CID 43768843
N-[(3,4-difluorophenyl)methyl]-1,3,5-trimethylpyrazol-4-amine
CID 28664340
N-[(4-ethoxyphenyl)methyl]-4-methyl-1,2,4-triazol-3-amine
CID 126806210
N-[(3-ethoxy-2-methoxyphenyl)methyl]-1,3,5-trimethylpyrazol-4-amine
CID 43768834
2-methoxy-4-[[(1,3,5-trimethylpyrazol-4-yl)amino]methyl]phenol
CID 28664303
2-[3-[[(1,3,5-trimethylpyrazol-4-yl)amino]methyl]phenoxy]acetonitrile
CID 43768806

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxyphenyl)methyl]-1,3,5-trimethylpyrazol-4-amine?
The IUPAC name of N-[(4-ethoxyphenyl)methyl]-1,3,5-trimethylpyrazol-4-amine (CID 28664320) is N-[(4-ethoxyphenyl)methyl]-1,3,5-trimethylpyrazol-4-amine.
What is the SMILES notation for N-[(4-ethoxyphenyl)methyl]-1,3,5-trimethylpyrazol-4-amine?
The canonical SMILES for N-[(4-ethoxyphenyl)methyl]-1,3,5-trimethylpyrazol-4-amine is CCOc1ccc(CNc2c(C)nn(C)c2C)cc1.
What is the InChIKey of N-[(4-ethoxyphenyl)methyl]-1,3,5-trimethylpyrazol-4-amine?
The InChIKey is RBUDFFOEOTZYHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-5-19-14-8-6-13(7-9-14)10-16-15-11(2)17-18(4)12(15)3/h6-9,16H,5,10H2,1-4H3.
What are the key properties of N-[(4-ethoxyphenyl)methyl]-1,3,5-trimethylpyrazol-4-amine?
N-[(4-ethoxyphenyl)methyl]-1,3,5-trimethylpyrazol-4-amine has a molecular weight of 259.35 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxyphenyl)methyl]-1,3,5-trimethylpyrazol-4-amine is sourced from PubChem (CID 28664320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).