2-[(5-chloro-3-methyl-1-phenylpyrazole-4-carbonyl)amino]acetic acid

C13H12ClN3O3 — CID 647138

IUPAC2-[(5-chloro-3-methyl-1-phenylpyrazole-4-carbonyl)amino]acetic acid
SMILESCc1nn(-c2ccccc2)c(Cl)c1C(=O)NCC(=O)O
InChIInChI=1S/C13H12ClN3O3/c1-8-11(13(20)15-7-10(18)19)12(14)17(16-8)9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,15,20)(H,18,19)
InChIKeyYGZZGYQMZYIOSC-UHFFFAOYSA-N
MW293.71 g/mol
LogP1.65
Rot. Bonds4

About 2-[(5-chloro-3-methyl-1-phenylpyrazole-4-carbonyl)amino]acetic acid

2-[(5-chloro-3-methyl-1-phenylpyrazole-4-carbonyl)amino]acetic acid (PubChem CID 647138) has the molecular formula C13H12ClN3O3 and a molecular weight of 293.71 g/mol. Its IUPAC name is 2-[(5-chloro-3-methyl-1-phenylpyrazole-4-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(5-chloro-3-methyl-1-phenylpyrazole-4-carbonyl)amino]acetic acid
PubChem CID647138
Molecular FormulaC13H12ClN3O3
Molecular Weight293.71 g/mol
Exact Mass293.06
IUPAC Name2-[(5-chloro-3-methyl-1-phenylpyrazole-4-carbonyl)amino]acetic acid
SMILESCc1nn(-c2ccccc2)c(Cl)c1C(=O)NCC(=O)O
InChIInChI=1S/C13H12ClN3O3/c1-8-11(13(20)15-7-10(18)19)12(14)17(16-8)9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,15,20)(H,18,19)
InChIKeyYGZZGYQMZYIOSC-UHFFFAOYSA-N
XLogP1.65
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.71
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-3-methyl-1-phenylpyrazole-4-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(5-chloro-3-methyl-1-phenylpyrazole-4-carbonyl)amino]acetic acid (CID 647138) is 2-[(5-chloro-3-methyl-1-phenylpyrazole-4-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(5-chloro-3-methyl-1-phenylpyrazole-4-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(5-chloro-3-methyl-1-phenylpyrazole-4-carbonyl)amino]acetic acid is Cc1nn(-c2ccccc2)c(Cl)c1C(=O)NCC(=O)O.
What is the InChIKey of 2-[(5-chloro-3-methyl-1-phenylpyrazole-4-carbonyl)amino]acetic acid?
The InChIKey is YGZZGYQMZYIOSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O3/c1-8-11(13(20)15-7-10(18)19)12(14)17(16-8)9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,15,20)(H,18,19).
What are the key properties of 2-[(5-chloro-3-methyl-1-phenylpyrazole-4-carbonyl)amino]acetic acid?
2-[(5-chloro-3-methyl-1-phenylpyrazole-4-carbonyl)amino]acetic acid has a molecular weight of 293.71 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-3-methyl-1-phenylpyrazole-4-carbonyl)amino]acetic acid is sourced from PubChem (CID 647138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).