2-cyclopropyl-2-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]propanoic acid

C16H16FN3O3 — CID 75516533

IUPAC2-cyclopropyl-2-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]propanoic acid
SMILESCC(NC(=O)c1cc(-c2ccc(F)cc2)n[nH]1)(C(=O)O)C1CC1
InChIInChI=1S/C16H16FN3O3/c1-16(15(22)23,10-4-5-10)18-14(21)13-8-12(19-20-13)9-2-6-11(17)7-3-9/h2-3,6-8,10H,4-5H2,1H3,(H,18,21)(H,19,20)(H,22,23)
InChIKeyABLSDRFLBJHAHS-UHFFFAOYSA-N
MW317.32 g/mol
LogP2.20
Rot. Bonds5

About 2-cyclopropyl-2-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]propanoic acid

2-cyclopropyl-2-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]propanoic acid (PubChem CID 75516533) has the molecular formula C16H16FN3O3 and a molecular weight of 317.32 g/mol. Its IUPAC name is 2-cyclopropyl-2-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]propanoic acid
PubChem CID75516533
Molecular FormulaC16H16FN3O3
Molecular Weight317.32 g/mol
Exact Mass317.12
IUPAC Name2-cyclopropyl-2-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]propanoic acid
SMILESCC(NC(=O)c1cc(-c2ccc(F)cc2)n[nH]1)(C(=O)O)C1CC1
InChIInChI=1S/C16H16FN3O3/c1-16(15(22)23,10-4-5-10)18-14(21)13-8-12(19-20-13)9-2-6-11(17)7-3-9/h2-3,6-8,10H,4-5H2,1H3,(H,18,21)(H,19,20)(H,22,23)
InChIKeyABLSDRFLBJHAHS-UHFFFAOYSA-N
XLogP2.20
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.32
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]propanoic acid?
The IUPAC name of 2-cyclopropyl-2-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]propanoic acid (CID 75516533) is 2-cyclopropyl-2-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]propanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]propanoic acid?
The canonical SMILES for 2-cyclopropyl-2-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]propanoic acid is CC(NC(=O)c1cc(-c2ccc(F)cc2)n[nH]1)(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]propanoic acid?
The InChIKey is ABLSDRFLBJHAHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O3/c1-16(15(22)23,10-4-5-10)18-14(21)13-8-12(19-20-13)9-2-6-11(17)7-3-9/h2-3,6-8,10H,4-5H2,1H3,(H,18,21)(H,19,20)(H,22,23).
What are the key properties of 2-cyclopropyl-2-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]propanoic acid?
2-cyclopropyl-2-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]propanoic acid has a molecular weight of 317.32 g/mol, XLogP of 2.20, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]propanoic acid is sourced from PubChem (CID 75516533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).