methyl 3-methyl-4-[(2-methylpyrazol-3-yl)methylamino]benzoate

C14H17N3O2 — CID 43730605

IUPACmethyl 3-methyl-4-[(2-methylpyrazol-3-yl)methylamino]benzoate
SMILESCOC(=O)c1ccc(NCc2ccnn2C)c(C)c1
InChIInChI=1S/C14H17N3O2/c1-10-8-11(14(18)19-3)4-5-13(10)15-9-12-6-7-16-17(12)2/h4-8,15H,9H2,1-3H3
InChIKeyVZACWDDNPIZAQD-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.13
Rot. Bonds4

About methyl 3-methyl-4-[(2-methylpyrazol-3-yl)methylamino]benzoate

methyl 3-methyl-4-[(2-methylpyrazol-3-yl)methylamino]benzoate (PubChem CID 43730605) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is methyl 3-methyl-4-[(2-methylpyrazol-3-yl)methylamino]benzoate.

Molecular Properties

Compound Namemethyl 3-methyl-4-[(2-methylpyrazol-3-yl)methylamino]benzoate
PubChem CID43730605
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Namemethyl 3-methyl-4-[(2-methylpyrazol-3-yl)methylamino]benzoate
SMILESCOC(=O)c1ccc(NCc2ccnn2C)c(C)c1
InChIInChI=1S/C14H17N3O2/c1-10-8-11(14(18)19-3)4-5-13(10)15-9-12-6-7-16-17(12)2/h4-8,15H,9H2,1-3H3
InChIKeyVZACWDDNPIZAQD-UHFFFAOYSA-N
XLogP2.13
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[(1,5-dimethylpyrazol-4-yl)methylamino]-3-methylbenzoate
CID 79578378
methyl 3-methyl-4-[(3-methylimidazol-4-yl)methylamino]benzoate
CID 66118328
4-methyl-3-[(2-methylpyrazol-3-yl)methylamino]benzoic acid
CID 19624653
3-methyl-4-(methylamino)-N-[(2-methylpyrazol-3-yl)methyl]benzamide
CID 63303526
methyl 4-[(4-bromophenyl)methylamino]-3-methylbenzoate
CID 43730509
4-N,4-N,2-trimethyl-1-N-[(2-methylpyrazol-3-yl)methyl]benzene-1,4-diamine
CID 43677065
methyl 4-(ethylamino)-3-methylbenzoate
CID 43730612
methyl 3-methyl-4-[(3,5,6-trimethylpyrazin-2-yl)methylamino]benzoate
CID 174534695
methyl 4-[(4,5-dibromothiophen-2-yl)methylamino]-3-methylbenzoate
CID 102833387
methyl 3-methyl-4-[(2-methylpyrimidin-4-yl)methylamino]benzoate
CID 62748228
methyl 4-[(1-ethylpyrazol-4-yl)methylamino]-3-methylbenzoate
CID 103569294
methyl 4-[(5-ethylthiophen-2-yl)methylamino]-3-methylbenzoate
CID 62347155

Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-4-[(2-methylpyrazol-3-yl)methylamino]benzoate?
The IUPAC name of methyl 3-methyl-4-[(2-methylpyrazol-3-yl)methylamino]benzoate (CID 43730605) is methyl 3-methyl-4-[(2-methylpyrazol-3-yl)methylamino]benzoate.
What is the SMILES notation for methyl 3-methyl-4-[(2-methylpyrazol-3-yl)methylamino]benzoate?
The canonical SMILES for methyl 3-methyl-4-[(2-methylpyrazol-3-yl)methylamino]benzoate is COC(=O)c1ccc(NCc2ccnn2C)c(C)c1.
What is the InChIKey of methyl 3-methyl-4-[(2-methylpyrazol-3-yl)methylamino]benzoate?
The InChIKey is VZACWDDNPIZAQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-10-8-11(14(18)19-3)4-5-13(10)15-9-12-6-7-16-17(12)2/h4-8,15H,9H2,1-3H3.
What are the key properties of methyl 3-methyl-4-[(2-methylpyrazol-3-yl)methylamino]benzoate?
methyl 3-methyl-4-[(2-methylpyrazol-3-yl)methylamino]benzoate has a molecular weight of 259.31 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-4-[(2-methylpyrazol-3-yl)methylamino]benzoate is sourced from PubChem (CID 43730605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).