2-[2-[(1-methylpyrazole-4-carbonyl)amino]phenyl]acetic acid

C13H13N3O3 — CID 62535911

IUPAC2-[2-[(1-methylpyrazole-4-carbonyl)amino]phenyl]acetic acid
SMILESCn1cc(C(=O)Nc2ccccc2CC(=O)O)cn1
InChIInChI=1S/C13H13N3O3/c1-16-8-10(7-14-16)13(19)15-11-5-3-2-4-9(11)6-12(17)18/h2-5,7-8H,6H2,1H3,(H,15,19)(H,17,18)
InChIKeyRUNGJFLZKOKWFN-UHFFFAOYSA-N
MW259.27 g/mol
LogP1.30
Rot. Bonds4

About 2-[2-[(1-methylpyrazole-4-carbonyl)amino]phenyl]acetic acid

2-[2-[(1-methylpyrazole-4-carbonyl)amino]phenyl]acetic acid (PubChem CID 62535911) has the molecular formula C13H13N3O3 and a molecular weight of 259.27 g/mol. Its IUPAC name is 2-[2-[(1-methylpyrazole-4-carbonyl)amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[(1-methylpyrazole-4-carbonyl)amino]phenyl]acetic acid
PubChem CID62535911
Molecular FormulaC13H13N3O3
Molecular Weight259.27 g/mol
Exact Mass259.10
IUPAC Name2-[2-[(1-methylpyrazole-4-carbonyl)amino]phenyl]acetic acid
SMILESCn1cc(C(=O)Nc2ccccc2CC(=O)O)cn1
InChIInChI=1S/C13H13N3O3/c1-16-8-10(7-14-16)13(19)15-11-5-3-2-4-9(11)6-12(17)18/h2-5,7-8H,6H2,1H3,(H,15,19)(H,17,18)
InChIKeyRUNGJFLZKOKWFN-UHFFFAOYSA-N
XLogP1.30
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-benzylphenyl)-1-methylpyrazole-4-carboxamide
CID 35294770
2-[2-[(1-methylpyrazol-4-yl)methylcarbamoylamino]phenyl]acetic acid
CID 62534232
N-(2-carbamoylphenyl)-1-methylpyrazole-4-carboxamide
CID 47011305
N-(2-tert-butylphenyl)-1-methylpyrazole-4-carboxamide
CID 844627
methyl 2-[(1-methylpyrazole-4-carbonyl)amino]benzoate
CID 43408015
N-[2-(methanesulfonamido)phenyl]-1-methylpyrazole-4-carboxamide
CID 35368634
2-[2-(pyridazine-4-carbonylamino)phenyl]acetic acid
CID 112555123
N-(2-carbamothioylphenyl)-1-methylpyrazole-4-carboxamide
CID 28742886
N-[2-(difluoromethylsulfanyl)phenyl]-1-methylpyrazole-4-carboxamide
CID 36670976
1-methyl-N-[2-(2,4,5-trifluorophenyl)phenyl]pyrazole-4-carboxamide
CID 141207933
N-[2-(2-amino-2-oxoethyl)phenyl]-1-benzylpyrazole-4-carboxamide
CID 87045497
1-methyl-N-phenacylpyrazole-4-carboxamide
CID 64991757

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1-methylpyrazole-4-carbonyl)amino]phenyl]acetic acid?
The IUPAC name of 2-[2-[(1-methylpyrazole-4-carbonyl)amino]phenyl]acetic acid (CID 62535911) is 2-[2-[(1-methylpyrazole-4-carbonyl)amino]phenyl]acetic acid.
What is the SMILES notation for 2-[2-[(1-methylpyrazole-4-carbonyl)amino]phenyl]acetic acid?
The canonical SMILES for 2-[2-[(1-methylpyrazole-4-carbonyl)amino]phenyl]acetic acid is Cn1cc(C(=O)Nc2ccccc2CC(=O)O)cn1.
What is the InChIKey of 2-[2-[(1-methylpyrazole-4-carbonyl)amino]phenyl]acetic acid?
The InChIKey is RUNGJFLZKOKWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3/c1-16-8-10(7-14-16)13(19)15-11-5-3-2-4-9(11)6-12(17)18/h2-5,7-8H,6H2,1H3,(H,15,19)(H,17,18).
What are the key properties of 2-[2-[(1-methylpyrazole-4-carbonyl)amino]phenyl]acetic acid?
2-[2-[(1-methylpyrazole-4-carbonyl)amino]phenyl]acetic acid has a molecular weight of 259.27 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1-methylpyrazole-4-carbonyl)amino]phenyl]acetic acid is sourced from PubChem (CID 62535911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).