2-[3-(1H-pyrazole-4-carbonylamino)phenyl]acetic acid

C12H11N3O3 — CID 65345747

IUPAC2-[3-(1H-pyrazole-4-carbonylamino)phenyl]acetic acid
SMILESO=C(O)Cc1cccc(NC(=O)c2cn[nH]c2)c1
InChIInChI=1S/C12H11N3O3/c16-11(17)5-8-2-1-3-10(4-8)15-12(18)9-6-13-14-7-9/h1-4,6-7H,5H2,(H,13,14)(H,15,18)(H,16,17)
InChIKeyCPYIBBMIUDGNQD-UHFFFAOYSA-N
MW245.24 g/mol
LogP1.29
Rot. Bonds4

About 2-[3-(1H-pyrazole-4-carbonylamino)phenyl]acetic acid

2-[3-(1H-pyrazole-4-carbonylamino)phenyl]acetic acid (PubChem CID 65345747) has the molecular formula C12H11N3O3 and a molecular weight of 245.24 g/mol. Its IUPAC name is 2-[3-(1H-pyrazole-4-carbonylamino)phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-(1H-pyrazole-4-carbonylamino)phenyl]acetic acid
PubChem CID65345747
Molecular FormulaC12H11N3O3
Molecular Weight245.24 g/mol
Exact Mass245.08
IUPAC Name2-[3-(1H-pyrazole-4-carbonylamino)phenyl]acetic acid
SMILESO=C(O)Cc1cccc(NC(=O)c2cn[nH]c2)c1
InChIInChI=1S/C12H11N3O3/c16-11(17)5-8-2-1-3-10(4-8)15-12(18)9-6-13-14-7-9/h1-4,6-7H,5H2,(H,13,14)(H,15,18)(H,16,17)
InChIKeyCPYIBBMIUDGNQD-UHFFFAOYSA-N
XLogP1.29
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-ethylphenyl)-1H-pyrazole-4-carboxamide
CID 43532955
N-[3-(propylaminomethyl)phenyl]-1H-pyrazole-4-carboxamide
CID 106910687
2-[3-[(3-iodobenzoyl)amino]phenyl]acetic acid
CID 65346308
2-[3-(pyrazine-2-carbonylamino)phenyl]acetic acid
CID 65346215
2-[3-[(6-chloropyridine-2-carbonyl)amino]phenyl]acetic acid
CID 65345876
N-[3-(2-methoxyethoxy)phenyl]-1H-pyrazole-4-carboxamide
CID 54867752
N-[3-(dimethylcarbamoyl)phenyl]-1H-pyrazole-4-carboxamide
CID 60786152
2-[3-(methoxycarbonylamino)phenyl]acetic acid
CID 21387794
2-[3-[(4-amino-3-bromobenzoyl)amino]phenyl]acetic acid
CID 65350471
2-(3-hydrazinylphenyl)acetic acid
CID 57090948
2-[3-[[4-(5-methyl-1H-1,2,4-triazol-3-yl)benzoyl]amino]phenyl]acetic acid
CID 167853726
2-[3-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]phenyl]acetic acid
CID 66155943

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1H-pyrazole-4-carbonylamino)phenyl]acetic acid?
The IUPAC name of 2-[3-(1H-pyrazole-4-carbonylamino)phenyl]acetic acid (CID 65345747) is 2-[3-(1H-pyrazole-4-carbonylamino)phenyl]acetic acid.
What is the SMILES notation for 2-[3-(1H-pyrazole-4-carbonylamino)phenyl]acetic acid?
The canonical SMILES for 2-[3-(1H-pyrazole-4-carbonylamino)phenyl]acetic acid is O=C(O)Cc1cccc(NC(=O)c2cn[nH]c2)c1.
What is the InChIKey of 2-[3-(1H-pyrazole-4-carbonylamino)phenyl]acetic acid?
The InChIKey is CPYIBBMIUDGNQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O3/c16-11(17)5-8-2-1-3-10(4-8)15-12(18)9-6-13-14-7-9/h1-4,6-7H,5H2,(H,13,14)(H,15,18)(H,16,17).
What are the key properties of 2-[3-(1H-pyrazole-4-carbonylamino)phenyl]acetic acid?
2-[3-(1H-pyrazole-4-carbonylamino)phenyl]acetic acid has a molecular weight of 245.24 g/mol, XLogP of 1.29, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1H-pyrazole-4-carbonylamino)phenyl]acetic acid is sourced from PubChem (CID 65345747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).