2-[5-[(2,4-dimethylphenyl)carbamoyl]pyrazol-1-yl]acetic acid

C14H15N3O3 — CID 19470917

IUPAC2-[5-[(2,4-dimethylphenyl)carbamoyl]pyrazol-1-yl]acetic acid
SMILESCc1ccc(NC(=O)c2ccnn2CC(=O)O)c(C)c1
InChIInChI=1S/C14H15N3O3/c1-9-3-4-11(10(2)7-9)16-14(20)12-5-6-15-17(12)8-13(18)19/h3-7H,8H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyUYUWZAFYTXIKQT-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.84
Rot. Bonds4

About 2-[5-[(2,4-dimethylphenyl)carbamoyl]pyrazol-1-yl]acetic acid

2-[5-[(2,4-dimethylphenyl)carbamoyl]pyrazol-1-yl]acetic acid (PubChem CID 19470917) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 2-[5-[(2,4-dimethylphenyl)carbamoyl]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[5-[(2,4-dimethylphenyl)carbamoyl]pyrazol-1-yl]acetic acid
PubChem CID19470917
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name2-[5-[(2,4-dimethylphenyl)carbamoyl]pyrazol-1-yl]acetic acid
SMILESCc1ccc(NC(=O)c2ccnn2CC(=O)O)c(C)c1
InChIInChI=1S/C14H15N3O3/c1-9-3-4-11(10(2)7-9)16-14(20)12-5-6-15-17(12)8-13(18)19/h3-7H,8H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyUYUWZAFYTXIKQT-UHFFFAOYSA-N
XLogP1.84
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-[(4-methyl-2-nitrophenyl)carbamoyl]pyrazol-1-yl]acetic acid
CID 19482380
2-[5-[(2,5-dimethylpyrazol-3-yl)carbamoyl]pyrazol-1-yl]acetic acid
CID 19482723
2-[5-(ethylcarbamoyl)pyrazol-1-yl]acetic acid
CID 19482640
2-[5-[[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]carbamoyl]pyrazol-1-yl]acetic acid
CID 19482356
N-(2-fluoro-5-methylphenyl)-2-propylpyrazole-3-carboxamide
CID 35532539
2-(carboxymethyl)pyrazole-3-carboxylic acid
CID 19485803
N-(2,4-dimethylphenyl)-2-methylpyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 84575460
2-[4,7-bis(carboxymethyl)-10-[2-(2,4-dimethylanilino)-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 58121003
3-[5-[(4-methyl-2-pyridinyl)carbamoyl]pyrazol-1-yl]propanoic acid
CID 19489957
2-[5-[[1-[(2,6-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]carbamoyl]pyrazol-1-yl]acetic acid
CID 19482676
N-(2,4-dimethylphenyl)-4-methylbenzamide
CID 774370
N-(2,4-dimethylphenyl)-3-methyl-1,2-oxazole-4-carboxamide
CID 110857168

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(2,4-dimethylphenyl)carbamoyl]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[5-[(2,4-dimethylphenyl)carbamoyl]pyrazol-1-yl]acetic acid (CID 19470917) is 2-[5-[(2,4-dimethylphenyl)carbamoyl]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[5-[(2,4-dimethylphenyl)carbamoyl]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[5-[(2,4-dimethylphenyl)carbamoyl]pyrazol-1-yl]acetic acid is Cc1ccc(NC(=O)c2ccnn2CC(=O)O)c(C)c1.
What is the InChIKey of 2-[5-[(2,4-dimethylphenyl)carbamoyl]pyrazol-1-yl]acetic acid?
The InChIKey is UYUWZAFYTXIKQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-9-3-4-11(10(2)7-9)16-14(20)12-5-6-15-17(12)8-13(18)19/h3-7H,8H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of 2-[5-[(2,4-dimethylphenyl)carbamoyl]pyrazol-1-yl]acetic acid?
2-[5-[(2,4-dimethylphenyl)carbamoyl]pyrazol-1-yl]acetic acid has a molecular weight of 273.29 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(2,4-dimethylphenyl)carbamoyl]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 19470917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).