methyl 2-[(2,5-dimethylpyrazol-3-yl)amino]-5-methoxybenzoate

C14H17N3O3 — CID 141175690

IUPACmethyl 2-[(2,5-dimethylpyrazol-3-yl)amino]-5-methoxybenzoate
SMILESCOC(=O)c1cc(OC)ccc1Nc1cc(C)nn1C
InChIInChI=1S/C14H17N3O3/c1-9-7-13(17(2)16-9)15-12-6-5-10(19-3)8-11(12)14(18)20-4/h5-8,15H,1-4H3
InChIKeyPJKKAFVHPWKWSZ-UHFFFAOYSA-N
MW275.31 g/mol
LogP2.27
Rot. Bonds4

About methyl 2-[(2,5-dimethylpyrazol-3-yl)amino]-5-methoxybenzoate

methyl 2-[(2,5-dimethylpyrazol-3-yl)amino]-5-methoxybenzoate (PubChem CID 141175690) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is methyl 2-[(2,5-dimethylpyrazol-3-yl)amino]-5-methoxybenzoate.

Molecular Properties

Compound Namemethyl 2-[(2,5-dimethylpyrazol-3-yl)amino]-5-methoxybenzoate
PubChem CID141175690
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Namemethyl 2-[(2,5-dimethylpyrazol-3-yl)amino]-5-methoxybenzoate
SMILESCOC(=O)c1cc(OC)ccc1Nc1cc(C)nn1C
InChIInChI=1S/C14H17N3O3/c1-9-7-13(17(2)16-9)15-12-6-5-10(19-3)8-11(12)14(18)20-4/h5-8,15H,1-4H3
InChIKeyPJKKAFVHPWKWSZ-UHFFFAOYSA-N
XLogP2.27
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-methoxy-2-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-N-propan-2-ylbenzamide
CID 69276880
(2,5-dimethoxyphenyl)-(2,5-dimethylpyrazol-3-yl)methanone
CID 105098356
1-[(2S)-2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-3-(2,5-dimethylpyrazol-3-yl)urea
CID 95129214
methyl 2-(4-methoxy-2-methylanilino)-5-(trifluoromethyl)benzoate
CID 155452822
2-[(2-chloro-5-methoxyphenyl)methylsulfanyl]-N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 99839652
methyl 5-amino-2-(4-methoxyanilino)benzoate
CID 21438625
2,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]pyrazol-3-amine
CID 59241608
methyl 2-amino-5-methoxybenzoate
CID 13052275
2-[[3-tert-butyl-1-(2,6-dimethylphenyl)pyrazol-5-yl]amino]-5-methoxybenzoic acid
CID 10069159
methyl 2-acetyloxy-5-methoxybenzoate
CID 131843602
methyl 2-[(2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]benzoate
CID 5308141
[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl] 2-[(4-methoxyphenyl)sulfonylamino]benzoate
CID 55468355

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2,5-dimethylpyrazol-3-yl)amino]-5-methoxybenzoate?
The IUPAC name of methyl 2-[(2,5-dimethylpyrazol-3-yl)amino]-5-methoxybenzoate (CID 141175690) is methyl 2-[(2,5-dimethylpyrazol-3-yl)amino]-5-methoxybenzoate.
What is the SMILES notation for methyl 2-[(2,5-dimethylpyrazol-3-yl)amino]-5-methoxybenzoate?
The canonical SMILES for methyl 2-[(2,5-dimethylpyrazol-3-yl)amino]-5-methoxybenzoate is COC(=O)c1cc(OC)ccc1Nc1cc(C)nn1C.
What is the InChIKey of methyl 2-[(2,5-dimethylpyrazol-3-yl)amino]-5-methoxybenzoate?
The InChIKey is PJKKAFVHPWKWSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-9-7-13(17(2)16-9)15-12-6-5-10(19-3)8-11(12)14(18)20-4/h5-8,15H,1-4H3.
What are the key properties of methyl 2-[(2,5-dimethylpyrazol-3-yl)amino]-5-methoxybenzoate?
methyl 2-[(2,5-dimethylpyrazol-3-yl)amino]-5-methoxybenzoate has a molecular weight of 275.31 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2,5-dimethylpyrazol-3-yl)amino]-5-methoxybenzoate is sourced from PubChem (CID 141175690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).