2-[4-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]phenyl]acetic acid

C15H17N3O3 — CID 43648219

IUPAC2-[4-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]phenyl]acetic acid
SMILESCc1cc(C)n(CC(=O)Nc2ccc(CC(=O)O)cc2)n1
InChIInChI=1S/C15H17N3O3/c1-10-7-11(2)18(17-10)9-14(19)16-13-5-3-12(4-6-13)8-15(20)21/h3-7H,8-9H2,1-2H3,(H,16,19)(H,20,21)
InChIKeyVXADWJFGHOZQJS-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.77
Rot. Bonds5

About 2-[4-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]phenyl]acetic acid

2-[4-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]phenyl]acetic acid (PubChem CID 43648219) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-[4-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]phenyl]acetic acid
PubChem CID43648219
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name2-[4-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]phenyl]acetic acid
SMILESCc1cc(C)n(CC(=O)Nc2ccc(CC(=O)O)cc2)n1
InChIInChI=1S/C15H17N3O3/c1-10-7-11(2)18(17-10)9-14(19)16-13-5-3-12(4-6-13)8-15(20)21/h3-7H,8-9H2,1-2H3,(H,16,19)(H,20,21)
InChIKeyVXADWJFGHOZQJS-UHFFFAOYSA-N
XLogP1.77
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-tert-butylphenyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 27285546
4-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-2-fluorobenzoic acid
CID 103791396
3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]benzoic acid
CID 43431779
3-chloro-5-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]benzoic acid
CID 81369984
5-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]thiophene-2-carboxylic acid
CID 43648240
2-chloro-4-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-N,N-diethylbenzamide
CID 34747067
1-(4-chlorophenyl)-3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]thiourea
CID 8786332
N-[1-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 19525717
N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 19525778
4-(3,5-dimethylpyrazol-1-yl)-N-phenylbutanamide
CID 39730494
4-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-3-hydroxybenzoic acid
CID 60827241
3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-5-methylsulfonylbenzoic acid
CID 119257653

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]phenyl]acetic acid?
The IUPAC name of 2-[4-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]phenyl]acetic acid (CID 43648219) is 2-[4-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]phenyl]acetic acid?
The canonical SMILES for 2-[4-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]phenyl]acetic acid is Cc1cc(C)n(CC(=O)Nc2ccc(CC(=O)O)cc2)n1.
What is the InChIKey of 2-[4-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]phenyl]acetic acid?
The InChIKey is VXADWJFGHOZQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-10-7-11(2)18(17-10)9-14(19)16-13-5-3-12(4-6-13)8-15(20)21/h3-7H,8-9H2,1-2H3,(H,16,19)(H,20,21).
What are the key properties of 2-[4-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]phenyl]acetic acid?
2-[4-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]phenyl]acetic acid has a molecular weight of 287.32 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]phenyl]acetic acid is sourced from PubChem (CID 43648219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).