methyl 4-[(1-ethylpyrazol-4-yl)methylamino]-3-methylbenzoate

C15H19N3O2 — CID 103569294

IUPACmethyl 4-[(1-ethylpyrazol-4-yl)methylamino]-3-methylbenzoate
SMILESCCn1cc(CNc2ccc(C(=O)OC)cc2C)cn1
InChIInChI=1S/C15H19N3O2/c1-4-18-10-12(9-17-18)8-16-14-6-5-13(7-11(14)2)15(19)20-3/h5-7,9-10,16H,4,8H2,1-3H3
InChIKeyOMAVDESFQOZSCR-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.61
Rot. Bonds5

About methyl 4-[(1-ethylpyrazol-4-yl)methylamino]-3-methylbenzoate

methyl 4-[(1-ethylpyrazol-4-yl)methylamino]-3-methylbenzoate (PubChem CID 103569294) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is methyl 4-[(1-ethylpyrazol-4-yl)methylamino]-3-methylbenzoate.

Molecular Properties

Compound Namemethyl 4-[(1-ethylpyrazol-4-yl)methylamino]-3-methylbenzoate
PubChem CID103569294
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Namemethyl 4-[(1-ethylpyrazol-4-yl)methylamino]-3-methylbenzoate
SMILESCCn1cc(CNc2ccc(C(=O)OC)cc2C)cn1
InChIInChI=1S/C15H19N3O2/c1-4-18-10-12(9-17-18)8-16-14-6-5-13(7-11(14)2)15(19)20-3/h5-7,9-10,16H,4,8H2,1-3H3
InChIKeyOMAVDESFQOZSCR-UHFFFAOYSA-N
XLogP2.61
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[(1-ethylpyrazol-4-yl)methylamino]benzoate
CID 103569198
methyl 3-methyl-4-[(3-methylimidazol-4-yl)methylamino]benzoate
CID 66118328
methyl 4-[(1,5-dimethylpyrazol-4-yl)methylamino]-3-methylbenzoate
CID 79578378
methyl 4-[(4-bromophenyl)methylamino]-3-methylbenzoate
CID 43730509
methyl 4-(ethylamino)-3-methylbenzoate
CID 43730612
methyl 3-methyl-4-[(2-methylpyrazol-3-yl)methylamino]benzoate
CID 43730605
methyl 4-[(4-fluoro-3-methylphenyl)methylamino]-3-methylbenzoate
CID 62121107
methyl 3-methyl-4-[(4-methylsulfanylphenyl)methylamino]benzoate
CID 43730494
propyl 4-[(1-ethylpyrazol-4-yl)methylamino]benzoate
CID 103569201
2-[4-[(4-ethoxy-2-methylanilino)methyl]pyrazol-1-yl]ethanol
CID 64829629
2-[4-[(2,4-dimethylanilino)methyl]pyrazol-1-yl]ethanol
CID 64829341
methyl 3-methyl-4-[(3,5,6-trimethylpyrazin-2-yl)methylamino]benzoate
CID 174534695

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(1-ethylpyrazol-4-yl)methylamino]-3-methylbenzoate?
The IUPAC name of methyl 4-[(1-ethylpyrazol-4-yl)methylamino]-3-methylbenzoate (CID 103569294) is methyl 4-[(1-ethylpyrazol-4-yl)methylamino]-3-methylbenzoate.
What is the SMILES notation for methyl 4-[(1-ethylpyrazol-4-yl)methylamino]-3-methylbenzoate?
The canonical SMILES for methyl 4-[(1-ethylpyrazol-4-yl)methylamino]-3-methylbenzoate is CCn1cc(CNc2ccc(C(=O)OC)cc2C)cn1.
What is the InChIKey of methyl 4-[(1-ethylpyrazol-4-yl)methylamino]-3-methylbenzoate?
The InChIKey is OMAVDESFQOZSCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-4-18-10-12(9-17-18)8-16-14-6-5-13(7-11(14)2)15(19)20-3/h5-7,9-10,16H,4,8H2,1-3H3.
What are the key properties of methyl 4-[(1-ethylpyrazol-4-yl)methylamino]-3-methylbenzoate?
methyl 4-[(1-ethylpyrazol-4-yl)methylamino]-3-methylbenzoate has a molecular weight of 273.34 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(1-ethylpyrazol-4-yl)methylamino]-3-methylbenzoate is sourced from PubChem (CID 103569294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).