2-[(5-chloro-1,3-dimethylpyrazole-4-carbonyl)amino]-2-phenylacetic acid

C14H14ClN3O3 — CID 3782417

IUPAC2-[(5-chloro-1,3-dimethylpyrazole-4-carbonyl)amino]-2-phenylacetic acid
SMILESCc1nn(C)c(Cl)c1C(=O)NC(C(=O)O)c1ccccc1
InChIInChI=1S/C14H14ClN3O3/c1-8-10(12(15)18(2)17-8)13(19)16-11(14(20)21)9-6-4-3-5-7-9/h3-7,11H,1-2H3,(H,16,19)(H,20,21)
InChIKeyRPZOCZJKTZOSID-UHFFFAOYSA-N
MW307.74 g/mol
LogP1.94
Rot. Bonds4

About 2-[(5-chloro-1,3-dimethylpyrazole-4-carbonyl)amino]-2-phenylacetic acid

2-[(5-chloro-1,3-dimethylpyrazole-4-carbonyl)amino]-2-phenylacetic acid (PubChem CID 3782417) has the molecular formula C14H14ClN3O3 and a molecular weight of 307.74 g/mol. Its IUPAC name is 2-[(5-chloro-1,3-dimethylpyrazole-4-carbonyl)amino]-2-phenylacetic acid.

Molecular Properties

Compound Name2-[(5-chloro-1,3-dimethylpyrazole-4-carbonyl)amino]-2-phenylacetic acid
PubChem CID3782417
Molecular FormulaC14H14ClN3O3
Molecular Weight307.74 g/mol
Exact Mass307.07
IUPAC Name2-[(5-chloro-1,3-dimethylpyrazole-4-carbonyl)amino]-2-phenylacetic acid
SMILESCc1nn(C)c(Cl)c1C(=O)NC(C(=O)O)c1ccccc1
InChIInChI=1S/C14H14ClN3O3/c1-8-10(12(15)18(2)17-8)13(19)16-11(14(20)21)9-6-4-3-5-7-9/h3-7,11H,1-2H3,(H,16,19)(H,20,21)
InChIKeyRPZOCZJKTZOSID-UHFFFAOYSA-N
XLogP1.94
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.74
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(5-chloro-1,3-dimethylpyrazole-4-carbonyl)amino]-2-phenylacetic 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 2-[(5-chloro-1,3-dimethylpyrazole-4-carbonyl)amino]-2-phenylacetic acid?
The IUPAC name of 2-[(5-chloro-1,3-dimethylpyrazole-4-carbonyl)amino]-2-phenylacetic acid (CID 3782417) is 2-[(5-chloro-1,3-dimethylpyrazole-4-carbonyl)amino]-2-phenylacetic acid.
What is the SMILES notation for 2-[(5-chloro-1,3-dimethylpyrazole-4-carbonyl)amino]-2-phenylacetic acid?
The canonical SMILES for 2-[(5-chloro-1,3-dimethylpyrazole-4-carbonyl)amino]-2-phenylacetic acid is Cc1nn(C)c(Cl)c1C(=O)NC(C(=O)O)c1ccccc1.
What is the InChIKey of 2-[(5-chloro-1,3-dimethylpyrazole-4-carbonyl)amino]-2-phenylacetic acid?
The InChIKey is RPZOCZJKTZOSID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O3/c1-8-10(12(15)18(2)17-8)13(19)16-11(14(20)21)9-6-4-3-5-7-9/h3-7,11H,1-2H3,(H,16,19)(H,20,21).
What are the key properties of 2-[(5-chloro-1,3-dimethylpyrazole-4-carbonyl)amino]-2-phenylacetic acid?
2-[(5-chloro-1,3-dimethylpyrazole-4-carbonyl)amino]-2-phenylacetic acid has a molecular weight of 307.74 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-1,3-dimethylpyrazole-4-carbonyl)amino]-2-phenylacetic acid is sourced from PubChem (CID 3782417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).