methyl 4-[(1,3-dimethylpyrazol-4-yl)carbamoyl]benzoate

C14H15N3O3 — CID 19346192

IUPACmethyl 4-[(1,3-dimethylpyrazol-4-yl)carbamoyl]benzoate
SMILESCOC(=O)c1ccc(C(=O)Nc2cn(C)nc2C)cc1
InChIInChI=1S/C14H15N3O3/c1-9-12(8-17(2)16-9)15-13(18)10-4-6-11(7-5-10)14(19)20-3/h4-8H,1-3H3,(H,15,18)
InChIKeyDHLZHHCFXIDHER-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.77
Rot. Bonds3

About methyl 4-[(1,3-dimethylpyrazol-4-yl)carbamoyl]benzoate

methyl 4-[(1,3-dimethylpyrazol-4-yl)carbamoyl]benzoate (PubChem CID 19346192) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is methyl 4-[(1,3-dimethylpyrazol-4-yl)carbamoyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[(1,3-dimethylpyrazol-4-yl)carbamoyl]benzoate
PubChem CID19346192
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Namemethyl 4-[(1,3-dimethylpyrazol-4-yl)carbamoyl]benzoate
SMILESCOC(=O)c1ccc(C(=O)Nc2cn(C)nc2C)cc1
InChIInChI=1S/C14H15N3O3/c1-9-12(8-17(2)16-9)15-13(18)10-4-6-11(7-5-10)14(19)20-3/h4-8H,1-3H3,(H,15,18)
InChIKeyDHLZHHCFXIDHER-UHFFFAOYSA-N
XLogP1.77
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-dimethylpyrazol-4-yl)-4-ethoxybenzamide
CID 19346026
4-(aminomethyl)-N-(1,3-dimethylpyrazol-4-yl)benzamide
CID 103796977
N-(1,3-dimethylpyrazol-4-yl)-3-fluoro-4-methoxybenzamide
CID 134714010
N-(1,3-dimethylpyrazol-4-yl)-3-hydroxy-4-methylbenzamide
CID 113358549
N-(1,3-dimethylpyrazol-4-yl)-4-(propylamino)benzamide
CID 102807314
N-(1,3-dimethylpyrazol-4-yl)-3,4-diethoxybenzamide
CID 19346004
N-(1,3-dimethylpyrazol-4-yl)-3-methylbenzamide
CID 19346010
3-chloro-N-(1,3-dimethylpyrazol-4-yl)-4-iodobenzamide
CID 113251749
4-amino-N-[2-[(1,3-dimethylpyrazol-4-yl)amino]-2-oxoethyl]benzamide
CID 102805519
4-amino-3-chloro-N-(1,3-dimethylpyrazol-4-yl)benzamide
CID 102803289
N-(1,3-dimethylpyrazol-4-yl)-6-pyridin-4-ylpyridine-3-carboxamide
CID 166318066
4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(1,3-dimethylpyrazol-4-yl)benzamide
CID 19346186

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(1,3-dimethylpyrazol-4-yl)carbamoyl]benzoate?
The IUPAC name of methyl 4-[(1,3-dimethylpyrazol-4-yl)carbamoyl]benzoate (CID 19346192) is methyl 4-[(1,3-dimethylpyrazol-4-yl)carbamoyl]benzoate.
What is the SMILES notation for methyl 4-[(1,3-dimethylpyrazol-4-yl)carbamoyl]benzoate?
The canonical SMILES for methyl 4-[(1,3-dimethylpyrazol-4-yl)carbamoyl]benzoate is COC(=O)c1ccc(C(=O)Nc2cn(C)nc2C)cc1.
What is the InChIKey of methyl 4-[(1,3-dimethylpyrazol-4-yl)carbamoyl]benzoate?
The InChIKey is DHLZHHCFXIDHER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-9-12(8-17(2)16-9)15-13(18)10-4-6-11(7-5-10)14(19)20-3/h4-8H,1-3H3,(H,15,18).
What are the key properties of methyl 4-[(1,3-dimethylpyrazol-4-yl)carbamoyl]benzoate?
methyl 4-[(1,3-dimethylpyrazol-4-yl)carbamoyl]benzoate has a molecular weight of 273.29 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(1,3-dimethylpyrazol-4-yl)carbamoyl]benzoate is sourced from PubChem (CID 19346192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).