2-cyclopropyl-2-[[1-(2-fluorophenyl)pyrazole-3-carbonyl]amino]acetic acid

C15H14FN3O3 — CID 119213154

IUPAC2-cyclopropyl-2-[[1-(2-fluorophenyl)pyrazole-3-carbonyl]amino]acetic acid
SMILESO=C(NC(C(=O)O)C1CC1)c1ccn(-c2ccccc2F)n1
InChIInChI=1S/C15H14FN3O3/c16-10-3-1-2-4-12(10)19-8-7-11(18-19)14(20)17-13(15(21)22)9-5-6-9/h1-4,7-9,13H,5-6H2,(H,17,20)(H,21,22)
InChIKeyJRUQLBYPDGDEBO-UHFFFAOYSA-N
MW303.29 g/mol
LogP1.60
Rot. Bonds5

About 2-cyclopropyl-2-[[1-(2-fluorophenyl)pyrazole-3-carbonyl]amino]acetic acid

2-cyclopropyl-2-[[1-(2-fluorophenyl)pyrazole-3-carbonyl]amino]acetic acid (PubChem CID 119213154) has the molecular formula C15H14FN3O3 and a molecular weight of 303.29 g/mol. Its IUPAC name is 2-cyclopropyl-2-[[1-(2-fluorophenyl)pyrazole-3-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[[1-(2-fluorophenyl)pyrazole-3-carbonyl]amino]acetic acid
PubChem CID119213154
Molecular FormulaC15H14FN3O3
Molecular Weight303.29 g/mol
Exact Mass303.10
IUPAC Name2-cyclopropyl-2-[[1-(2-fluorophenyl)pyrazole-3-carbonyl]amino]acetic acid
SMILESO=C(NC(C(=O)O)C1CC1)c1ccn(-c2ccccc2F)n1
InChIInChI=1S/C15H14FN3O3/c16-10-3-1-2-4-12(10)19-8-7-11(18-19)14(20)17-13(15(21)22)9-5-6-9/h1-4,7-9,13H,5-6H2,(H,17,20)(H,21,22)
InChIKeyJRUQLBYPDGDEBO-UHFFFAOYSA-N
XLogP1.60
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.29
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[[1-(2-fluorophenyl)pyrazole-3-carbonyl]amino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[[1-(2-fluorophenyl)pyrazole-3-carbonyl]amino]acetic acid (CID 119213154) is 2-cyclopropyl-2-[[1-(2-fluorophenyl)pyrazole-3-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[[1-(2-fluorophenyl)pyrazole-3-carbonyl]amino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[[1-(2-fluorophenyl)pyrazole-3-carbonyl]amino]acetic acid is O=C(NC(C(=O)O)C1CC1)c1ccn(-c2ccccc2F)n1.
What is the InChIKey of 2-cyclopropyl-2-[[1-(2-fluorophenyl)pyrazole-3-carbonyl]amino]acetic acid?
The InChIKey is JRUQLBYPDGDEBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O3/c16-10-3-1-2-4-12(10)19-8-7-11(18-19)14(20)17-13(15(21)22)9-5-6-9/h1-4,7-9,13H,5-6H2,(H,17,20)(H,21,22).
What are the key properties of 2-cyclopropyl-2-[[1-(2-fluorophenyl)pyrazole-3-carbonyl]amino]acetic acid?
2-cyclopropyl-2-[[1-(2-fluorophenyl)pyrazole-3-carbonyl]amino]acetic acid has a molecular weight of 303.29 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[[1-(2-fluorophenyl)pyrazole-3-carbonyl]amino]acetic acid is sourced from PubChem (CID 119213154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).