(2R)-2-(3-fluorophenyl)-2-[(5-methyl-1-propylpyrazole-4-carbonyl)amino]acetic acid

C16H18FN3O3 — CID 97286145

IUPAC(2R)-2-(3-fluorophenyl)-2-[(5-methyl-1-propylpyrazole-4-carbonyl)amino]acetic acid
SMILESCCCn1ncc(C(=O)N[C@@H](C(=O)O)c2cccc(F)c2)c1C
InChIInChI=1S/C16H18FN3O3/c1-3-7-20-10(2)13(9-18-20)15(21)19-14(16(22)23)11-5-4-6-12(17)8-11/h4-6,8-9,14H,3,7H2,1-2H3,(H,19,21)(H,22,23)/t14-/m1/s1
InChIKeyIVSIRGTYITXTMC-CQSZACIVSA-N
MW319.34 g/mol
LogP2.30
Rot. Bonds6

About (2R)-2-(3-fluorophenyl)-2-[(5-methyl-1-propylpyrazole-4-carbonyl)amino]acetic acid

(2R)-2-(3-fluorophenyl)-2-[(5-methyl-1-propylpyrazole-4-carbonyl)amino]acetic acid (PubChem CID 97286145) has the molecular formula C16H18FN3O3 and a molecular weight of 319.34 g/mol. Its IUPAC name is (2R)-2-(3-fluorophenyl)-2-[(5-methyl-1-propylpyrazole-4-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name(2R)-2-(3-fluorophenyl)-2-[(5-methyl-1-propylpyrazole-4-carbonyl)amino]acetic acid
PubChem CID97286145
Molecular FormulaC16H18FN3O3
Molecular Weight319.34 g/mol
Exact Mass319.13
IUPAC Name(2R)-2-(3-fluorophenyl)-2-[(5-methyl-1-propylpyrazole-4-carbonyl)amino]acetic acid
SMILESCCCn1ncc(C(=O)N[C@@H](C(=O)O)c2cccc(F)c2)c1C
InChIInChI=1S/C16H18FN3O3/c1-3-7-20-10(2)13(9-18-20)15(21)19-14(16(22)23)11-5-4-6-12(17)8-11/h4-6,8-9,14H,3,7H2,1-2H3,(H,19,21)(H,22,23)/t14-/m1/s1
InChIKeyIVSIRGTYITXTMC-CQSZACIVSA-N
XLogP2.30
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-2-(3-fluorophenyl)-2-[(5-methyl-1-propylpyrazole-4-carbonyl)amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-fluorophenyl)-2-[(5-methyl-1-propylpyrazole-4-carbonyl)amino]acetic acid?
The IUPAC name of (2R)-2-(3-fluorophenyl)-2-[(5-methyl-1-propylpyrazole-4-carbonyl)amino]acetic acid (CID 97286145) is (2R)-2-(3-fluorophenyl)-2-[(5-methyl-1-propylpyrazole-4-carbonyl)amino]acetic acid.
What is the SMILES notation for (2R)-2-(3-fluorophenyl)-2-[(5-methyl-1-propylpyrazole-4-carbonyl)amino]acetic acid?
The canonical SMILES for (2R)-2-(3-fluorophenyl)-2-[(5-methyl-1-propylpyrazole-4-carbonyl)amino]acetic acid is CCCn1ncc(C(=O)N[C@@H](C(=O)O)c2cccc(F)c2)c1C.
What is the InChIKey of (2R)-2-(3-fluorophenyl)-2-[(5-methyl-1-propylpyrazole-4-carbonyl)amino]acetic acid?
The InChIKey is IVSIRGTYITXTMC-CQSZACIVSA-N. The full InChI is InChI=1S/C16H18FN3O3/c1-3-7-20-10(2)13(9-18-20)15(21)19-14(16(22)23)11-5-4-6-12(17)8-11/h4-6,8-9,14H,3,7H2,1-2H3,(H,19,21)(H,22,23)/t14-/m1/s1.
What are the key properties of (2R)-2-(3-fluorophenyl)-2-[(5-methyl-1-propylpyrazole-4-carbonyl)amino]acetic acid?
(2R)-2-(3-fluorophenyl)-2-[(5-methyl-1-propylpyrazole-4-carbonyl)amino]acetic acid has a molecular weight of 319.34 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-fluorophenyl)-2-[(5-methyl-1-propylpyrazole-4-carbonyl)amino]acetic acid is sourced from PubChem (CID 97286145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).