3-[2-[(2-methylpyrazole-3-carbonyl)amino]phenyl]propanoic acid

C14H15N3O3 — CID 107272535

IUPAC3-[2-[(2-methylpyrazole-3-carbonyl)amino]phenyl]propanoic acid
SMILESCn1nccc1C(=O)Nc1ccccc1CCC(=O)O
InChIInChI=1S/C14H15N3O3/c1-17-12(8-9-15-17)14(20)16-11-5-3-2-4-10(11)6-7-13(18)19/h2-5,8-9H,6-7H2,1H3,(H,16,20)(H,18,19)
InChIKeyIIBKJKUDMGZYQA-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.69
Rot. Bonds5

About 3-[2-[(2-methylpyrazole-3-carbonyl)amino]phenyl]propanoic acid

3-[2-[(2-methylpyrazole-3-carbonyl)amino]phenyl]propanoic acid (PubChem CID 107272535) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 3-[2-[(2-methylpyrazole-3-carbonyl)amino]phenyl]propanoic acid.

Molecular Properties

Compound Name3-[2-[(2-methylpyrazole-3-carbonyl)amino]phenyl]propanoic acid
PubChem CID107272535
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name3-[2-[(2-methylpyrazole-3-carbonyl)amino]phenyl]propanoic acid
SMILESCn1nccc1C(=O)Nc1ccccc1CCC(=O)O
InChIInChI=1S/C14H15N3O3/c1-17-12(8-9-15-17)14(20)16-11-5-3-2-4-10(11)6-7-13(18)19/h2-5,8-9H,6-7H2,1H3,(H,16,20)(H,18,19)
InChIKeyIIBKJKUDMGZYQA-UHFFFAOYSA-N
XLogP1.69
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(pyridine-4-carbonylamino)phenyl]propanoic acid
CID 107272370
3-[2-(pyridine-3-carbonylamino)phenyl]propanoic acid
CID 107272327
N-[2-(1-aminoethyl)phenyl]-2-methylpyrazole-3-carboxamide
CID 62918927
3-[2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]phenyl]propanoic acid
CID 107272302
3-[2-[(3-hydroxypyridine-4-carbonyl)amino]phenyl]propanoic acid
CID 107272392
3-[5-[(2-methoxyphenyl)carbamoyl]pyrazol-1-yl]propanoic acid
CID 19490105
3-[2-[(3-amino-1H-1,2,4-triazole-5-carbonyl)amino]phenyl]propanoic acid
CID 107273501
4-(2-methylpyrazol-3-yl)-4-oxobutanoic acid
CID 82407999
3-[2-[(2-oxo-1H-pyridine-3-carbonyl)amino]phenyl]propanoic acid
CID 107272339
3-[2-[(5-ethyl-1H-1,2,4-triazole-3-carbonyl)amino]phenyl]propanoic acid
CID 107272421
2-methyl-N'-(2-methylpyrazole-3-carbonyl)pyrazole-3-carbohydrazide
CID 899926
2-[2-[(1-methylpyrazole-4-carbonyl)amino]phenyl]acetic acid
CID 62535911

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2-methylpyrazole-3-carbonyl)amino]phenyl]propanoic acid?
The IUPAC name of 3-[2-[(2-methylpyrazole-3-carbonyl)amino]phenyl]propanoic acid (CID 107272535) is 3-[2-[(2-methylpyrazole-3-carbonyl)amino]phenyl]propanoic acid.
What is the SMILES notation for 3-[2-[(2-methylpyrazole-3-carbonyl)amino]phenyl]propanoic acid?
The canonical SMILES for 3-[2-[(2-methylpyrazole-3-carbonyl)amino]phenyl]propanoic acid is Cn1nccc1C(=O)Nc1ccccc1CCC(=O)O.
What is the InChIKey of 3-[2-[(2-methylpyrazole-3-carbonyl)amino]phenyl]propanoic acid?
The InChIKey is IIBKJKUDMGZYQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-17-12(8-9-15-17)14(20)16-11-5-3-2-4-10(11)6-7-13(18)19/h2-5,8-9H,6-7H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 3-[2-[(2-methylpyrazole-3-carbonyl)amino]phenyl]propanoic acid?
3-[2-[(2-methylpyrazole-3-carbonyl)amino]phenyl]propanoic acid has a molecular weight of 273.29 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2-methylpyrazole-3-carbonyl)amino]phenyl]propanoic acid is sourced from PubChem (CID 107272535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).