3-[(2-cyclopentylpyrazole-3-carbonyl)amino]-2-(4-fluorophenoxy)propanoic acid

C18H20FN3O4 — CID 120533520

IUPAC3-[(2-cyclopentylpyrazole-3-carbonyl)amino]-2-(4-fluorophenoxy)propanoic acid
SMILESO=C(NCC(Oc1ccc(F)cc1)C(=O)O)c1ccnn1C1CCCC1
InChIInChI=1S/C18H20FN3O4/c19-12-5-7-14(8-6-12)26-16(18(24)25)11-20-17(23)15-9-10-21-22(15)13-3-1-2-4-13/h5-10,13,16H,1-4,11H2,(H,20,23)(H,24,25)
InChIKeyZLZWUXLKVWQYBN-UHFFFAOYSA-N
MW361.37 g/mol
LogP2.40
Rot. Bonds7

About 3-[(2-cyclopentylpyrazole-3-carbonyl)amino]-2-(4-fluorophenoxy)propanoic acid

3-[(2-cyclopentylpyrazole-3-carbonyl)amino]-2-(4-fluorophenoxy)propanoic acid (PubChem CID 120533520) has the molecular formula C18H20FN3O4 and a molecular weight of 361.37 g/mol. Its IUPAC name is 3-[(2-cyclopentylpyrazole-3-carbonyl)amino]-2-(4-fluorophenoxy)propanoic acid.

Molecular Properties

Compound Name3-[(2-cyclopentylpyrazole-3-carbonyl)amino]-2-(4-fluorophenoxy)propanoic acid
PubChem CID120533520
Molecular FormulaC18H20FN3O4
Molecular Weight361.37 g/mol
Exact Mass361.14
IUPAC Name3-[(2-cyclopentylpyrazole-3-carbonyl)amino]-2-(4-fluorophenoxy)propanoic acid
SMILESO=C(NCC(Oc1ccc(F)cc1)C(=O)O)c1ccnn1C1CCCC1
InChIInChI=1S/C18H20FN3O4/c19-12-5-7-14(8-6-12)26-16(18(24)25)11-20-17(23)15-9-10-21-22(15)13-3-1-2-4-13/h5-10,13,16H,1-4,11H2,(H,20,23)(H,24,25)
InChIKeyZLZWUXLKVWQYBN-UHFFFAOYSA-N
XLogP2.40
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.37
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-cyclopentylpyrazole-3-carbonyl)amino]-2-(4-fluorophenoxy)propanoic acid?
The IUPAC name of 3-[(2-cyclopentylpyrazole-3-carbonyl)amino]-2-(4-fluorophenoxy)propanoic acid (CID 120533520) is 3-[(2-cyclopentylpyrazole-3-carbonyl)amino]-2-(4-fluorophenoxy)propanoic acid.
What is the SMILES notation for 3-[(2-cyclopentylpyrazole-3-carbonyl)amino]-2-(4-fluorophenoxy)propanoic acid?
The canonical SMILES for 3-[(2-cyclopentylpyrazole-3-carbonyl)amino]-2-(4-fluorophenoxy)propanoic acid is O=C(NCC(Oc1ccc(F)cc1)C(=O)O)c1ccnn1C1CCCC1.
What is the InChIKey of 3-[(2-cyclopentylpyrazole-3-carbonyl)amino]-2-(4-fluorophenoxy)propanoic acid?
The InChIKey is ZLZWUXLKVWQYBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O4/c19-12-5-7-14(8-6-12)26-16(18(24)25)11-20-17(23)15-9-10-21-22(15)13-3-1-2-4-13/h5-10,13,16H,1-4,11H2,(H,20,23)(H,24,25).
What are the key properties of 3-[(2-cyclopentylpyrazole-3-carbonyl)amino]-2-(4-fluorophenoxy)propanoic acid?
3-[(2-cyclopentylpyrazole-3-carbonyl)amino]-2-(4-fluorophenoxy)propanoic acid has a molecular weight of 361.37 g/mol, XLogP of 2.40, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-cyclopentylpyrazole-3-carbonyl)amino]-2-(4-fluorophenoxy)propanoic acid is sourced from PubChem (CID 120533520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).