methyl 5-carbamoyl-1-(3,5-dimethylphenyl)pyrazole-4-carboxylate

C14H15N3O3 — CID 14421311

IUPACmethyl 5-carbamoyl-1-(3,5-dimethylphenyl)pyrazole-4-carboxylate
SMILESCOC(=O)c1cnn(-c2cc(C)cc(C)c2)c1C(N)=O
InChIInChI=1S/C14H15N3O3/c1-8-4-9(2)6-10(5-8)17-12(13(15)18)11(7-16-17)14(19)20-3/h4-7H,1-3H3,(H2,15,18)
InChIKeyZUVLRPDGXWXZCB-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.37
Rot. Bonds3

About methyl 5-carbamoyl-1-(3,5-dimethylphenyl)pyrazole-4-carboxylate

methyl 5-carbamoyl-1-(3,5-dimethylphenyl)pyrazole-4-carboxylate (PubChem CID 14421311) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is methyl 5-carbamoyl-1-(3,5-dimethylphenyl)pyrazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-carbamoyl-1-(3,5-dimethylphenyl)pyrazole-4-carboxylate
PubChem CID14421311
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Namemethyl 5-carbamoyl-1-(3,5-dimethylphenyl)pyrazole-4-carboxylate
SMILESCOC(=O)c1cnn(-c2cc(C)cc(C)c2)c1C(N)=O
InChIInChI=1S/C14H15N3O3/c1-8-4-9(2)6-10(5-8)17-12(13(15)18)11(7-16-17)14(19)20-3/h4-7H,1-3H3,(H2,15,18)
InChIKeyZUVLRPDGXWXZCB-UHFFFAOYSA-N
XLogP1.37
TPSA87.21 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 ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-{[(1-methyl-1H-pyrazol-5-yl)carbonyl]amino}benzoate
CID 6466448
dimethyl 1-phenyl-1H-pyrazole-3,4-dicarboxylate
CID 648745
1H-Pyrazole-4-carboxylic acid, 5-cyano-1-(3-methylphenyl)-, ethyl ester
CID 163672
1H-Pyrazole-4-carboxylic acid, 5-(aminocarbonyl)-1-(4-methylphenyl)-
CID 163716
1H-Pyrazole-4-carboxylic acid, 5-(aminocarbonyl)-1-(3-methylphenyl)-
CID 163717
1H-Pyrazole-4-carboxylic acid, 5-(aminocarbonyl)-1-(3,4-dimethylphenyl)-
CID 163719
Pyrazole-4-carboxylic acid, 5-(N,N-dimethylformimidoyl)-1-phenyl-, ethyl ester, hydrochloride
CID 24844208
ethyl 4-amino-1-benzyl-1H-pyrazole-3-carboxylate
CID 71454704
Methyl 5-methyl-1-phenylpyrazole-4-carboxylate
CID 827526
ethyl 5-formyl-1-phenyl-1H-pyrazole-4-carboxylate
CID 12240770
ethyl 1-(3-cyanophenyl)-5-methyl-1H-pyrazole-4-carboxylate
CID 16228693
Ethyl 5-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxylate
CID 13812945

Frequently Asked Questions

What is the IUPAC name of methyl 5-carbamoyl-1-(3,5-dimethylphenyl)pyrazole-4-carboxylate?
The IUPAC name of methyl 5-carbamoyl-1-(3,5-dimethylphenyl)pyrazole-4-carboxylate (CID 14421311) is methyl 5-carbamoyl-1-(3,5-dimethylphenyl)pyrazole-4-carboxylate.
What is the SMILES notation for methyl 5-carbamoyl-1-(3,5-dimethylphenyl)pyrazole-4-carboxylate?
The canonical SMILES for methyl 5-carbamoyl-1-(3,5-dimethylphenyl)pyrazole-4-carboxylate is COC(=O)c1cnn(-c2cc(C)cc(C)c2)c1C(N)=O.
What is the InChIKey of methyl 5-carbamoyl-1-(3,5-dimethylphenyl)pyrazole-4-carboxylate?
The InChIKey is ZUVLRPDGXWXZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-8-4-9(2)6-10(5-8)17-12(13(15)18)11(7-16-17)14(19)20-3/h4-7H,1-3H3,(H2,15,18).
What are the key properties of methyl 5-carbamoyl-1-(3,5-dimethylphenyl)pyrazole-4-carboxylate?
methyl 5-carbamoyl-1-(3,5-dimethylphenyl)pyrazole-4-carboxylate has a molecular weight of 273.29 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-carbamoyl-1-(3,5-dimethylphenyl)pyrazole-4-carboxylate is sourced from PubChem (CID 14421311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).