2-[cyclopropyl-[1-(2,4-difluorophenyl)pyrazole-3-carbonyl]amino]propanoic acid

C16H15F2N3O3 — CID 122067551

IUPAC2-[cyclopropyl-[1-(2,4-difluorophenyl)pyrazole-3-carbonyl]amino]propanoic acid
SMILESCC(C(=O)O)N(C(=O)c1ccn(-c2ccc(F)cc2F)n1)C1CC1
InChIInChI=1S/C16H15F2N3O3/c1-9(16(23)24)21(11-3-4-11)15(22)13-6-7-20(19-13)14-5-2-10(17)8-12(14)18/h2,5-9,11H,3-4H2,1H3,(H,23,24)
InChIKeyJULZVNMSXVYUPJ-UHFFFAOYSA-N
MW335.31 g/mol
LogP2.23
Rot. Bonds5

About 2-[cyclopropyl-[1-(2,4-difluorophenyl)pyrazole-3-carbonyl]amino]propanoic acid

2-[cyclopropyl-[1-(2,4-difluorophenyl)pyrazole-3-carbonyl]amino]propanoic acid (PubChem CID 122067551) has the molecular formula C16H15F2N3O3 and a molecular weight of 335.31 g/mol. Its IUPAC name is 2-[cyclopropyl-[1-(2,4-difluorophenyl)pyrazole-3-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[1-(2,4-difluorophenyl)pyrazole-3-carbonyl]amino]propanoic acid
PubChem CID122067551
Molecular FormulaC16H15F2N3O3
Molecular Weight335.31 g/mol
Exact Mass335.11
IUPAC Name2-[cyclopropyl-[1-(2,4-difluorophenyl)pyrazole-3-carbonyl]amino]propanoic acid
SMILESCC(C(=O)O)N(C(=O)c1ccn(-c2ccc(F)cc2F)n1)C1CC1
InChIInChI=1S/C16H15F2N3O3/c1-9(16(23)24)21(11-3-4-11)15(22)13-6-7-20(19-13)14-5-2-10(17)8-12(14)18/h2,5-9,11H,3-4H2,1H3,(H,23,24)
InChIKeyJULZVNMSXVYUPJ-UHFFFAOYSA-N
XLogP2.23
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.31
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[1-(2,4-difluorophenyl)pyrazole-3-carbonyl]amino]propanoic acid?
The IUPAC name of 2-[cyclopropyl-[1-(2,4-difluorophenyl)pyrazole-3-carbonyl]amino]propanoic acid (CID 122067551) is 2-[cyclopropyl-[1-(2,4-difluorophenyl)pyrazole-3-carbonyl]amino]propanoic acid.
What is the SMILES notation for 2-[cyclopropyl-[1-(2,4-difluorophenyl)pyrazole-3-carbonyl]amino]propanoic acid?
The canonical SMILES for 2-[cyclopropyl-[1-(2,4-difluorophenyl)pyrazole-3-carbonyl]amino]propanoic acid is CC(C(=O)O)N(C(=O)c1ccn(-c2ccc(F)cc2F)n1)C1CC1.
What is the InChIKey of 2-[cyclopropyl-[1-(2,4-difluorophenyl)pyrazole-3-carbonyl]amino]propanoic acid?
The InChIKey is JULZVNMSXVYUPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N3O3/c1-9(16(23)24)21(11-3-4-11)15(22)13-6-7-20(19-13)14-5-2-10(17)8-12(14)18/h2,5-9,11H,3-4H2,1H3,(H,23,24).
What are the key properties of 2-[cyclopropyl-[1-(2,4-difluorophenyl)pyrazole-3-carbonyl]amino]propanoic acid?
2-[cyclopropyl-[1-(2,4-difluorophenyl)pyrazole-3-carbonyl]amino]propanoic acid has a molecular weight of 335.31 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[1-(2,4-difluorophenyl)pyrazole-3-carbonyl]amino]propanoic acid is sourced from PubChem (CID 122067551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).