2-[4-[3-(2-methylpyrazol-3-yl)propanoylamino]phenyl]acetic acid

C15H17N3O3 — CID 120537812

IUPAC2-[4-[3-(2-methylpyrazol-3-yl)propanoylamino]phenyl]acetic acid
SMILESCn1nccc1CCC(=O)Nc1ccc(CC(=O)O)cc1
InChIInChI=1S/C15H17N3O3/c1-18-13(8-9-16-18)6-7-14(19)17-12-4-2-11(3-5-12)10-15(20)21/h2-5,8-9H,6-7,10H2,1H3,(H,17,19)(H,20,21)
InChIKeyLAOQIDBLPKZEBJ-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.62
Rot. Bonds6

About 2-[4-[3-(2-methylpyrazol-3-yl)propanoylamino]phenyl]acetic acid

2-[4-[3-(2-methylpyrazol-3-yl)propanoylamino]phenyl]acetic acid (PubChem CID 120537812) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-[4-[3-(2-methylpyrazol-3-yl)propanoylamino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[3-(2-methylpyrazol-3-yl)propanoylamino]phenyl]acetic acid
PubChem CID120537812
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name2-[4-[3-(2-methylpyrazol-3-yl)propanoylamino]phenyl]acetic acid
SMILESCn1nccc1CCC(=O)Nc1ccc(CC(=O)O)cc1
InChIInChI=1S/C15H17N3O3/c1-18-13(8-9-16-18)6-7-14(19)17-12-4-2-11(3-5-12)10-15(20)21/h2-5,8-9H,6-7,10H2,1H3,(H,17,19)(H,20,21)
InChIKeyLAOQIDBLPKZEBJ-UHFFFAOYSA-N
XLogP1.62
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-[3-(2-methylpyrazol-3-yl)propanoylamino]phenoxy]butanoic acid
CID 120530793
N-[4-(1,1-difluoroethyl)phenyl]-3-(2-methylpyrazol-3-yl)propanamide
CID 166304475
2-[4-[3-(4-ethylphenyl)propanoylamino]phenyl]acetic acid
CID 45346474
N-[4-(2-methoxyphenoxy)phenyl]-3-(2-methylpyrazol-3-yl)propanamide
CID 131900391
1-[4-[3-(2-methylpyrazol-3-yl)propanoylamino]benzoyl]piperidine-4-carboxylic acid
CID 120528058
N-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-3-(2-methylpyrazol-3-yl)propanamide
CID 131924029
2-[4-(3-pyridin-3-ylpropanoylamino)phenyl]acetic acid
CID 43358510
1-(4-methylphenyl)-4-(2-methylpyrazol-3-yl)butan-2-one
CID 103007359
5-[4-(carboxymethyl)anilino]-5-oxopentanoic acid
CID 756962
N-[[4-(aminomethyl)phenyl]methyl]-3-(2-methylpyrazol-3-yl)propanamide
CID 74247536
2-[4-[3-(ethylamino)propanoylamino]phenyl]acetic acid
CID 62835723
2-[4-[3-(2-methoxyphenyl)propanoylamino]phenyl]acetic acid
CID 17362890

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(2-methylpyrazol-3-yl)propanoylamino]phenyl]acetic acid?
The IUPAC name of 2-[4-[3-(2-methylpyrazol-3-yl)propanoylamino]phenyl]acetic acid (CID 120537812) is 2-[4-[3-(2-methylpyrazol-3-yl)propanoylamino]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[3-(2-methylpyrazol-3-yl)propanoylamino]phenyl]acetic acid?
The canonical SMILES for 2-[4-[3-(2-methylpyrazol-3-yl)propanoylamino]phenyl]acetic acid is Cn1nccc1CCC(=O)Nc1ccc(CC(=O)O)cc1.
What is the InChIKey of 2-[4-[3-(2-methylpyrazol-3-yl)propanoylamino]phenyl]acetic acid?
The InChIKey is LAOQIDBLPKZEBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-18-13(8-9-16-18)6-7-14(19)17-12-4-2-11(3-5-12)10-15(20)21/h2-5,8-9H,6-7,10H2,1H3,(H,17,19)(H,20,21).
What are the key properties of 2-[4-[3-(2-methylpyrazol-3-yl)propanoylamino]phenyl]acetic acid?
2-[4-[3-(2-methylpyrazol-3-yl)propanoylamino]phenyl]acetic acid has a molecular weight of 287.32 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(2-methylpyrazol-3-yl)propanoylamino]phenyl]acetic acid is sourced from PubChem (CID 120537812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).