methyl 4-[[(1,3,5-trimethylpyrazol-4-yl)amino]methyl]benzoate

C15H19N3O2 — CID 28664573

IUPACmethyl 4-[[(1,3,5-trimethylpyrazol-4-yl)amino]methyl]benzoate
SMILESCOC(=O)c1ccc(CNc2c(C)nn(C)c2C)cc1
InChIInChI=1S/C15H19N3O2/c1-10-14(11(2)18(3)17-10)16-9-12-5-7-13(8-6-12)15(19)20-4/h5-8,16H,9H2,1-4H3
InChIKeyWURXLQHMXGDGPT-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.44
Rot. Bonds4

About methyl 4-[[(1,3,5-trimethylpyrazol-4-yl)amino]methyl]benzoate

methyl 4-[[(1,3,5-trimethylpyrazol-4-yl)amino]methyl]benzoate (PubChem CID 28664573) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is methyl 4-[[(1,3,5-trimethylpyrazol-4-yl)amino]methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[(1,3,5-trimethylpyrazol-4-yl)amino]methyl]benzoate
PubChem CID28664573
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Namemethyl 4-[[(1,3,5-trimethylpyrazol-4-yl)amino]methyl]benzoate
SMILESCOC(=O)c1ccc(CNc2c(C)nn(C)c2C)cc1
InChIInChI=1S/C15H19N3O2/c1-10-14(11(2)18(3)17-10)16-9-12-5-7-13(8-6-12)15(19)20-4/h5-8,16H,9H2,1-4H3
InChIKeyWURXLQHMXGDGPT-UHFFFAOYSA-N
XLogP2.44
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-bromophenyl)methyl]-1,3,5-trimethylpyrazol-4-amine
CID 28664301
4-[(4-methoxyanilino)methyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
CID 90786427
N-[(4-ethoxyphenyl)methyl]-1,3,5-trimethylpyrazol-4-amine
CID 28664320
2-methoxy-4-[[(1,3,5-trimethylpyrazol-4-yl)amino]methyl]phenol
CID 28664303
N-[[4-(diethylamino)phenyl]methyl]-1,3,5-trimethylpyrazol-4-amine
CID 28664920
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
methyl 4-[[(2-methyl-3-pyridinyl)amino]methyl]benzoate
CID 79041701
methyl 2-[(1,3,5-trimethylpyrazol-4-yl)amino]acetate
CID 82539691
4-[[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)amino]methyl]benzoic acid
CID 65347629

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[(1,3,5-trimethylpyrazol-4-yl)amino]methyl]benzoate?
The IUPAC name of methyl 4-[[(1,3,5-trimethylpyrazol-4-yl)amino]methyl]benzoate (CID 28664573) is methyl 4-[[(1,3,5-trimethylpyrazol-4-yl)amino]methyl]benzoate.
What is the SMILES notation for methyl 4-[[(1,3,5-trimethylpyrazol-4-yl)amino]methyl]benzoate?
The canonical SMILES for methyl 4-[[(1,3,5-trimethylpyrazol-4-yl)amino]methyl]benzoate is COC(=O)c1ccc(CNc2c(C)nn(C)c2C)cc1.
What is the InChIKey of methyl 4-[[(1,3,5-trimethylpyrazol-4-yl)amino]methyl]benzoate?
The InChIKey is WURXLQHMXGDGPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-10-14(11(2)18(3)17-10)16-9-12-5-7-13(8-6-12)15(19)20-4/h5-8,16H,9H2,1-4H3.
What are the key properties of methyl 4-[[(1,3,5-trimethylpyrazol-4-yl)amino]methyl]benzoate?
methyl 4-[[(1,3,5-trimethylpyrazol-4-yl)amino]methyl]benzoate has a molecular weight of 273.34 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[(1,3,5-trimethylpyrazol-4-yl)amino]methyl]benzoate is sourced from PubChem (CID 28664573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).