methyl 5-[benzoyl(methyl)amino]-1-methylpyrazole-4-carboxylate

C14H15N3O3 — CID 171363187

IUPACmethyl 5-[benzoyl(methyl)amino]-1-methylpyrazole-4-carboxylate
SMILESCOC(=O)c1cnn(C)c1N(C)C(=O)c1ccccc1
InChIInChI=1S/C14H15N3O3/c1-16(13(18)10-7-5-4-6-8-10)12-11(14(19)20-3)9-15-17(12)2/h4-9H,1-3H3
InChIKeyVAERSCRJBJAFIB-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.48
Rot. Bonds3

About methyl 5-[benzoyl(methyl)amino]-1-methylpyrazole-4-carboxylate

methyl 5-[benzoyl(methyl)amino]-1-methylpyrazole-4-carboxylate (PubChem CID 171363187) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is methyl 5-[benzoyl(methyl)amino]-1-methylpyrazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-[benzoyl(methyl)amino]-1-methylpyrazole-4-carboxylate
PubChem CID171363187
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Namemethyl 5-[benzoyl(methyl)amino]-1-methylpyrazole-4-carboxylate
SMILESCOC(=O)c1cnn(C)c1N(C)C(=O)c1ccccc1
InChIInChI=1S/C14H15N3O3/c1-16(13(18)10-7-5-4-6-8-10)12-11(14(19)20-3)9-15-17(12)2/h4-9H,1-3H3
InChIKeyVAERSCRJBJAFIB-UHFFFAOYSA-N
XLogP1.48
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-5-[methyl(phenyl)carbamoyl]pyrazole-4-carboxylic acid
CID 19623708
methyl 2-[methyl-(4-methylbenzoyl)amino]benzoate
CID 20787954
methyl 2-[methyl(1H-pyrazole-4-carbonyl)amino]benzoate
CID 43623067
methyl 2-[(5-amino-1-methylpyrazole-4-carbonyl)amino]benzoate
CID 82546289
5-[benzenesulfonyl(methyl)amino]-1-methylpyrazole-4-carboxylic acid
CID 20983621
methyl 4-[benzoyl(methyl)amino]-5,7-dichloronaphthalene-1-carboxylate
CID 71283579
CID 157228504
CID 157228504
methyl benzoate;hydrate
CID 141218240
methyl 2-hydroxy-3-[[1-methyl-5-[methyl-(4-methylphenyl)sulfonylamino]pyrazole-4-carbonyl]amino]benzoate
CID 108802252
methyl 2-methyl-1-oxophthalazine-5-carboxylate
CID 167974102
di(113C)methyl benzene-1,2-dicarboxylate
CID 131668060
methyl 5-amino-1-[4-[benzyl(ethyl)carbamoyl]phenyl]pyrazole-4-carboxylate
CID 46363473

Frequently Asked Questions

What is the IUPAC name of methyl 5-[benzoyl(methyl)amino]-1-methylpyrazole-4-carboxylate?
The IUPAC name of methyl 5-[benzoyl(methyl)amino]-1-methylpyrazole-4-carboxylate (CID 171363187) is methyl 5-[benzoyl(methyl)amino]-1-methylpyrazole-4-carboxylate.
What is the SMILES notation for methyl 5-[benzoyl(methyl)amino]-1-methylpyrazole-4-carboxylate?
The canonical SMILES for methyl 5-[benzoyl(methyl)amino]-1-methylpyrazole-4-carboxylate is COC(=O)c1cnn(C)c1N(C)C(=O)c1ccccc1.
What is the InChIKey of methyl 5-[benzoyl(methyl)amino]-1-methylpyrazole-4-carboxylate?
The InChIKey is VAERSCRJBJAFIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-16(13(18)10-7-5-4-6-8-10)12-11(14(19)20-3)9-15-17(12)2/h4-9H,1-3H3.
What are the key properties of methyl 5-[benzoyl(methyl)amino]-1-methylpyrazole-4-carboxylate?
methyl 5-[benzoyl(methyl)amino]-1-methylpyrazole-4-carboxylate has a molecular weight of 273.29 g/mol, XLogP of 1.48, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[benzoyl(methyl)amino]-1-methylpyrazole-4-carboxylate is sourced from PubChem (CID 171363187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).