4-[(3,4-dimethylphenyl)carbamoyl]-1-methylpyrazole-3-carboxylic acid

C14H15N3O3 — CID 19498518

IUPAC4-[(3,4-dimethylphenyl)carbamoyl]-1-methylpyrazole-3-carboxylic acid
SMILESCc1ccc(NC(=O)c2cn(C)nc2C(=O)O)cc1C
InChIInChI=1S/C14H15N3O3/c1-8-4-5-10(6-9(8)2)15-13(18)11-7-17(3)16-12(11)14(19)20/h4-7H,1-3H3,(H,15,18)(H,19,20)
InChIKeyCKGFVXSIMIEFHZ-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.99
Rot. Bonds3

About 4-[(3,4-dimethylphenyl)carbamoyl]-1-methylpyrazole-3-carboxylic acid

4-[(3,4-dimethylphenyl)carbamoyl]-1-methylpyrazole-3-carboxylic acid (PubChem CID 19498518) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 4-[(3,4-dimethylphenyl)carbamoyl]-1-methylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name4-[(3,4-dimethylphenyl)carbamoyl]-1-methylpyrazole-3-carboxylic acid
PubChem CID19498518
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name4-[(3,4-dimethylphenyl)carbamoyl]-1-methylpyrazole-3-carboxylic acid
SMILESCc1ccc(NC(=O)c2cn(C)nc2C(=O)O)cc1C
InChIInChI=1S/C14H15N3O3/c1-8-4-5-10(6-9(8)2)15-13(18)11-7-17(3)16-12(11)14(19)20/h4-7H,1-3H3,(H,15,18)(H,19,20)
InChIKeyCKGFVXSIMIEFHZ-UHFFFAOYSA-N
XLogP1.99
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-(3,4-dimethylphenyl)-1-methylpyrazole-3-carboxamide
CID 835667
3-[(3-chloro-4-methylphenyl)carbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 19498199
1-methyl-3-N,4-N-bis(4-methylphenyl)pyrazole-3,4-dicarboxamide
CID 29097610
1-methyl-3-N,4-N-bis(3-methylphenyl)pyrazole-3,4-dicarboxamide
CID 29097602
N-(3,4-dimethylphenyl)-1-methylpyrazole-3-carboxamide
CID 573313
4-[(2,6-dichlorophenyl)carbamoyl]-1-methylpyrazole-3-carboxylic acid
CID 19498506
4-[(3,4-dimethylphenyl)carbamoylamino]-1-methylpyrazole-3-carboxamide
CID 17378532
N-(3,4-dimethylphenyl)-2,4,5-trimethylbenzamide
CID 100707473
3-N,4-N-bis(3-acetylphenyl)-1-methylpyrazole-3,4-dicarboxamide
CID 29097609
4-[[4-[(4-bromopyrazol-1-yl)methyl]phenyl]carbamoyl]-1-methylpyrazole-3-carboxylic acid
CID 19498606
N-(3,4-dimethylphenyl)-2,5-dimethylpyrazole-3-carboxamide
CID 110685886
N-(3,4-dimethoxyphenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 45285321

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dimethylphenyl)carbamoyl]-1-methylpyrazole-3-carboxylic acid?
The IUPAC name of 4-[(3,4-dimethylphenyl)carbamoyl]-1-methylpyrazole-3-carboxylic acid (CID 19498518) is 4-[(3,4-dimethylphenyl)carbamoyl]-1-methylpyrazole-3-carboxylic acid.
What is the SMILES notation for 4-[(3,4-dimethylphenyl)carbamoyl]-1-methylpyrazole-3-carboxylic acid?
The canonical SMILES for 4-[(3,4-dimethylphenyl)carbamoyl]-1-methylpyrazole-3-carboxylic acid is Cc1ccc(NC(=O)c2cn(C)nc2C(=O)O)cc1C.
What is the InChIKey of 4-[(3,4-dimethylphenyl)carbamoyl]-1-methylpyrazole-3-carboxylic acid?
The InChIKey is CKGFVXSIMIEFHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-8-4-5-10(6-9(8)2)15-13(18)11-7-17(3)16-12(11)14(19)20/h4-7H,1-3H3,(H,15,18)(H,19,20).
What are the key properties of 4-[(3,4-dimethylphenyl)carbamoyl]-1-methylpyrazole-3-carboxylic acid?
4-[(3,4-dimethylphenyl)carbamoyl]-1-methylpyrazole-3-carboxylic acid has a molecular weight of 273.29 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dimethylphenyl)carbamoyl]-1-methylpyrazole-3-carboxylic acid is sourced from PubChem (CID 19498518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).