3-[(5-phenyl-1H-pyrazole-4-carbonyl)amino]propanoic acid

C13H13N3O3 — CID 43354670

IUPAC3-[(5-phenyl-1H-pyrazole-4-carbonyl)amino]propanoic acid
SMILESO=C(O)CCNC(=O)c1cn[nH]c1-c1ccccc1
InChIInChI=1S/C13H13N3O3/c17-11(18)6-7-14-13(19)10-8-15-16-12(10)9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,14,19)(H,15,16)(H,17,18)
InChIKeyGFSMZCIWCMOZQQ-UHFFFAOYSA-N
MW259.26 g/mol
LogP1.28
Rot. Bonds5

About 3-[(5-phenyl-1H-pyrazole-4-carbonyl)amino]propanoic acid

3-[(5-phenyl-1H-pyrazole-4-carbonyl)amino]propanoic acid (PubChem CID 43354670) has the molecular formula C13H13N3O3 and a molecular weight of 259.26 g/mol. Its IUPAC name is 3-[(5-phenyl-1H-pyrazole-4-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[(5-phenyl-1H-pyrazole-4-carbonyl)amino]propanoic acid
PubChem CID43354670
Molecular FormulaC13H13N3O3
Molecular Weight259.26 g/mol
Exact Mass259.10
IUPAC Name3-[(5-phenyl-1H-pyrazole-4-carbonyl)amino]propanoic acid
SMILESO=C(O)CCNC(=O)c1cn[nH]c1-c1ccccc1
InChIInChI=1S/C13H13N3O3/c17-11(18)6-7-14-13(19)10-8-15-16-12(10)9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,14,19)(H,15,16)(H,17,18)
InChIKeyGFSMZCIWCMOZQQ-UHFFFAOYSA-N
XLogP1.28
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-phenyl-1H-pyrazole-4-carbonyl)amino]propanoic acid?
The IUPAC name of 3-[(5-phenyl-1H-pyrazole-4-carbonyl)amino]propanoic acid (CID 43354670) is 3-[(5-phenyl-1H-pyrazole-4-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-[(5-phenyl-1H-pyrazole-4-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-[(5-phenyl-1H-pyrazole-4-carbonyl)amino]propanoic acid is O=C(O)CCNC(=O)c1cn[nH]c1-c1ccccc1.
What is the InChIKey of 3-[(5-phenyl-1H-pyrazole-4-carbonyl)amino]propanoic acid?
The InChIKey is GFSMZCIWCMOZQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3/c17-11(18)6-7-14-13(19)10-8-15-16-12(10)9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,14,19)(H,15,16)(H,17,18).
What are the key properties of 3-[(5-phenyl-1H-pyrazole-4-carbonyl)amino]propanoic acid?
3-[(5-phenyl-1H-pyrazole-4-carbonyl)amino]propanoic acid has a molecular weight of 259.26 g/mol, XLogP of 1.28, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-phenyl-1H-pyrazole-4-carbonyl)amino]propanoic acid is sourced from PubChem (CID 43354670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).