methyl 4-[(2,6-dimethoxybenzoyl)amino]-1-methylpyrazole-3-carboxylate

C15H17N3O5 — CID 19341646

IUPACmethyl 4-[(2,6-dimethoxybenzoyl)amino]-1-methylpyrazole-3-carboxylate
SMILESCOC(=O)c1nn(C)cc1NC(=O)c1c(OC)cccc1OC
InChIInChI=1S/C15H17N3O5/c1-18-8-9(13(17-18)15(20)23-4)16-14(19)12-10(21-2)6-5-7-11(12)22-3/h5-8H,1-4H3,(H,16,19)
InChIKeyIFXJJSFNDRDOLT-UHFFFAOYSA-N
MW319.32 g/mol
LogP1.48
Rot. Bonds5

About methyl 4-[(2,6-dimethoxybenzoyl)amino]-1-methylpyrazole-3-carboxylate

methyl 4-[(2,6-dimethoxybenzoyl)amino]-1-methylpyrazole-3-carboxylate (PubChem CID 19341646) has the molecular formula C15H17N3O5 and a molecular weight of 319.32 g/mol. Its IUPAC name is methyl 4-[(2,6-dimethoxybenzoyl)amino]-1-methylpyrazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(2,6-dimethoxybenzoyl)amino]-1-methylpyrazole-3-carboxylate
PubChem CID19341646
Molecular FormulaC15H17N3O5
Molecular Weight319.32 g/mol
Exact Mass319.12
IUPAC Namemethyl 4-[(2,6-dimethoxybenzoyl)amino]-1-methylpyrazole-3-carboxylate
SMILESCOC(=O)c1nn(C)cc1NC(=O)c1c(OC)cccc1OC
InChIInChI=1S/C15H17N3O5/c1-18-8-9(13(17-18)15(20)23-4)16-14(19)12-10(21-2)6-5-7-11(12)22-3/h5-8H,1-4H3,(H,16,19)
InChIKeyIFXJJSFNDRDOLT-UHFFFAOYSA-N
XLogP1.48
TPSA91.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 4-[[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]-1-methylpyrazole-3-carboxylate
CID 19341664
methyl 1-methyl-4-[(2-nitrobenzoyl)amino]pyrazole-3-carboxylate
CID 19341428
3-[(2,3-dimethoxyphenyl)carbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 29095890
methyl 4-[(3-bromopyrazolo[1,5-a]pyridine-6-carbonyl)amino]-1-methylpyrazole-3-carboxylate
CID 166349827
methyl 4-[(4,5-dibromothiophene-2-carbonyl)amino]-1-methylpyrazole-3-carboxylate
CID 19341532
methyl 4-[(4-chloro-3-nitrobenzoyl)amino]-1-methylpyrazole-3-carboxylate
CID 19341726
2,6-dimethoxy-N-(3-methyl-1-phenylpyrazol-4-yl)benzamide
CID 154837597
methyl 4-[[3-[(4-acetylpiperazin-1-yl)methyl]benzoyl]amino]-1-methylpyrazole-3-carboxylate
CID 141493504
methyl 4-[(4-chloro-1-methylpyrazole-3-carbonyl)amino]-1-ethylpyrazole-3-carboxylate
CID 19263773
(3-methoxycarbonyl-1-methylpyrazol-4-yl)oxyboronic acid
CID 155759498
methyl 4-[[2-(3,4-diethoxyphenyl)acetyl]amino]-1-methylpyrazole-3-carboxylate
CID 19341512
4-[[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]amino]-N,1-dimethylpyrazole-3-carboxamide
CID 19467688

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2,6-dimethoxybenzoyl)amino]-1-methylpyrazole-3-carboxylate?
The IUPAC name of methyl 4-[(2,6-dimethoxybenzoyl)amino]-1-methylpyrazole-3-carboxylate (CID 19341646) is methyl 4-[(2,6-dimethoxybenzoyl)amino]-1-methylpyrazole-3-carboxylate.
What is the SMILES notation for methyl 4-[(2,6-dimethoxybenzoyl)amino]-1-methylpyrazole-3-carboxylate?
The canonical SMILES for methyl 4-[(2,6-dimethoxybenzoyl)amino]-1-methylpyrazole-3-carboxylate is COC(=O)c1nn(C)cc1NC(=O)c1c(OC)cccc1OC.
What is the InChIKey of methyl 4-[(2,6-dimethoxybenzoyl)amino]-1-methylpyrazole-3-carboxylate?
The InChIKey is IFXJJSFNDRDOLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O5/c1-18-8-9(13(17-18)15(20)23-4)16-14(19)12-10(21-2)6-5-7-11(12)22-3/h5-8H,1-4H3,(H,16,19).
What are the key properties of methyl 4-[(2,6-dimethoxybenzoyl)amino]-1-methylpyrazole-3-carboxylate?
methyl 4-[(2,6-dimethoxybenzoyl)amino]-1-methylpyrazole-3-carboxylate has a molecular weight of 319.32 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2,6-dimethoxybenzoyl)amino]-1-methylpyrazole-3-carboxylate is sourced from PubChem (CID 19341646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).