2-[2-[[4-(1H-pyrazol-5-yl)phenyl]carbamoyl]phenyl]acetic acid

C18H15N3O3 — CID 118797289

IUPAC2-[2-[[4-(1H-pyrazol-5-yl)phenyl]carbamoyl]phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1C(=O)Nc1ccc(-c2ccn[nH]2)cc1
InChIInChI=1S/C18H15N3O3/c22-17(23)11-13-3-1-2-4-15(13)18(24)20-14-7-5-12(6-8-14)16-9-10-19-21-16/h1-10H,11H2,(H,19,21)(H,20,24)(H,22,23)
InChIKeyYSSZUZAPGNXUSY-UHFFFAOYSA-N
MW321.34 g/mol
LogP2.96
Rot. Bonds5

About 2-[2-[[4-(1H-pyrazol-5-yl)phenyl]carbamoyl]phenyl]acetic acid

2-[2-[[4-(1H-pyrazol-5-yl)phenyl]carbamoyl]phenyl]acetic acid (PubChem CID 118797289) has the molecular formula C18H15N3O3 and a molecular weight of 321.34 g/mol. Its IUPAC name is 2-[2-[[4-(1H-pyrazol-5-yl)phenyl]carbamoyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[[4-(1H-pyrazol-5-yl)phenyl]carbamoyl]phenyl]acetic acid
PubChem CID118797289
Molecular FormulaC18H15N3O3
Molecular Weight321.34 g/mol
Exact Mass321.11
IUPAC Name2-[2-[[4-(1H-pyrazol-5-yl)phenyl]carbamoyl]phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1C(=O)Nc1ccc(-c2ccn[nH]2)cc1
InChIInChI=1S/C18H15N3O3/c22-17(23)11-13-3-1-2-4-15(13)18(24)20-14-7-5-12(6-8-14)16-9-10-19-21-16/h1-10H,11H2,(H,19,21)(H,20,24)(H,22,23)
InChIKeyYSSZUZAPGNXUSY-UHFFFAOYSA-N
XLogP2.96
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[[4-(1H-pyrazol-5-yl)phenyl]carbamoyl]phenyl]acetic acid?
The IUPAC name of 2-[2-[[4-(1H-pyrazol-5-yl)phenyl]carbamoyl]phenyl]acetic acid (CID 118797289) is 2-[2-[[4-(1H-pyrazol-5-yl)phenyl]carbamoyl]phenyl]acetic acid.
What is the SMILES notation for 2-[2-[[4-(1H-pyrazol-5-yl)phenyl]carbamoyl]phenyl]acetic acid?
The canonical SMILES for 2-[2-[[4-(1H-pyrazol-5-yl)phenyl]carbamoyl]phenyl]acetic acid is O=C(O)Cc1ccccc1C(=O)Nc1ccc(-c2ccn[nH]2)cc1.
What is the InChIKey of 2-[2-[[4-(1H-pyrazol-5-yl)phenyl]carbamoyl]phenyl]acetic acid?
The InChIKey is YSSZUZAPGNXUSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O3/c22-17(23)11-13-3-1-2-4-15(13)18(24)20-14-7-5-12(6-8-14)16-9-10-19-21-16/h1-10H,11H2,(H,19,21)(H,20,24)(H,22,23).
What are the key properties of 2-[2-[[4-(1H-pyrazol-5-yl)phenyl]carbamoyl]phenyl]acetic acid?
2-[2-[[4-(1H-pyrazol-5-yl)phenyl]carbamoyl]phenyl]acetic acid has a molecular weight of 321.34 g/mol, XLogP of 2.96, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[4-(1H-pyrazol-5-yl)phenyl]carbamoyl]phenyl]acetic acid is sourced from PubChem (CID 118797289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).