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

C15H16ClN3O4 — CID 122107947

IUPAC2-[3-[[(4-chloro-1,5-dimethylpyrazole-3-carbonyl)amino]methyl]phenoxy]acetic acid
SMILESCc1c(Cl)c(C(=O)NCc2cccc(OCC(=O)O)c2)nn1C
InChIInChI=1S/C15H16ClN3O4/c1-9-13(16)14(18-19(9)2)15(22)17-7-10-4-3-5-11(6-10)23-8-12(20)21/h3-6H,7-8H2,1-2H3,(H,17,22)(H,20,21)
InChIKeyLAJYFQSNRHNFKC-UHFFFAOYSA-N
MW337.76 g/mol
LogP1.78
Rot. Bonds6

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

2-[3-[[(4-chloro-1,5-dimethylpyrazole-3-carbonyl)amino]methyl]phenoxy]acetic acid (PubChem CID 122107947) has the molecular formula C15H16ClN3O4 and a molecular weight of 337.76 g/mol. Its IUPAC name is 2-[3-[[(4-chloro-1,5-dimethylpyrazole-3-carbonyl)amino]methyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[3-[[(4-chloro-1,5-dimethylpyrazole-3-carbonyl)amino]methyl]phenoxy]acetic acid
PubChem CID122107947
Molecular FormulaC15H16ClN3O4
Molecular Weight337.76 g/mol
Exact Mass337.08
IUPAC Name2-[3-[[(4-chloro-1,5-dimethylpyrazole-3-carbonyl)amino]methyl]phenoxy]acetic acid
SMILESCc1c(Cl)c(C(=O)NCc2cccc(OCC(=O)O)c2)nn1C
InChIInChI=1S/C15H16ClN3O4/c1-9-13(16)14(18-19(9)2)15(22)17-7-10-4-3-5-11(6-10)23-8-12(20)21/h3-6H,7-8H2,1-2H3,(H,17,22)(H,20,21)
InChIKeyLAJYFQSNRHNFKC-UHFFFAOYSA-N
XLogP1.78
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.76
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[3-[[(4-chloro-1,5-dimethylpyrazole-3-carbonyl)amino]methyl]phenoxy]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

Related Compounds

2-[3-[[(3,5-dimethoxy-4-methylbenzoyl)amino]methyl]phenoxy]acetic acid
CID 119246780
2-[3-[(2-pyrazol-1-ylpropanoylamino)methyl]phenoxy]acetic acid
CID 119246406
2-[3-[[(2-methyl-4-propan-2-ylpyrimidine-5-carbonyl)amino]methyl]phenoxy]acetic acid
CID 120687818
1,5-dimethyl-N-[(3-propoxyphenyl)methyl]pyrazole-4-carboxamide
CID 51090455
2-[3-[[(5-tert-butyl-1,2-oxazole-3-carbonyl)amino]methyl]phenoxy]acetic acid
CID 119246431
2-[[(4-chloro-1,5-dimethylpyrazole-3-carbonyl)amino]methyl]-3-(3-methylphenyl)propanoic acid
CID 122107909
2-[3-[[3-(3,5-dimethylphenyl)propanoylamino]methyl]phenoxy]acetic acid
CID 120527410
N-[(3-methoxyphenyl)methyl]-1-methylindazole-3-carboxamide
CID 71822195
2-[3-[[3-(1-methylpyrazol-4-yl)propanoylamino]methyl]phenoxy]acetic acid
CID 119246619
2-[3-[(2-acetamidopropanoylamino)methyl]phenoxy]acetic acid
CID 119246914
6-methyl-4-oxo-1-phenyl-N-[(3-phenylmethoxyphenyl)methyl]pyridazine-3-carboxamide
CID 55846918
2-[3-[[[2-(2,5-dimethylphenoxy)acetyl]amino]methyl]phenoxy]acetic acid
CID 119246591

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[(4-chloro-1,5-dimethylpyrazole-3-carbonyl)amino]methyl]phenoxy]acetic acid?
The IUPAC name of 2-[3-[[(4-chloro-1,5-dimethylpyrazole-3-carbonyl)amino]methyl]phenoxy]acetic acid (CID 122107947) is 2-[3-[[(4-chloro-1,5-dimethylpyrazole-3-carbonyl)amino]methyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[3-[[(4-chloro-1,5-dimethylpyrazole-3-carbonyl)amino]methyl]phenoxy]acetic acid?
The canonical SMILES for 2-[3-[[(4-chloro-1,5-dimethylpyrazole-3-carbonyl)amino]methyl]phenoxy]acetic acid is Cc1c(Cl)c(C(=O)NCc2cccc(OCC(=O)O)c2)nn1C.
What is the InChIKey of 2-[3-[[(4-chloro-1,5-dimethylpyrazole-3-carbonyl)amino]methyl]phenoxy]acetic acid?
The InChIKey is LAJYFQSNRHNFKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O4/c1-9-13(16)14(18-19(9)2)15(22)17-7-10-4-3-5-11(6-10)23-8-12(20)21/h3-6H,7-8H2,1-2H3,(H,17,22)(H,20,21).
What are the key properties of 2-[3-[[(4-chloro-1,5-dimethylpyrazole-3-carbonyl)amino]methyl]phenoxy]acetic acid?
2-[3-[[(4-chloro-1,5-dimethylpyrazole-3-carbonyl)amino]methyl]phenoxy]acetic acid has a molecular weight of 337.76 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[(4-chloro-1,5-dimethylpyrazole-3-carbonyl)amino]methyl]phenoxy]acetic acid is sourced from PubChem (CID 122107947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).