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

C16H19N3O4 — CID 119255833

IUPAC2-[4-[2-[(1,5-dimethylpyrazole-3-carbonyl)amino]ethyl]phenoxy]acetic acid
SMILESCc1cc(C(=O)NCCc2ccc(OCC(=O)O)cc2)nn1C
InChIInChI=1S/C16H19N3O4/c1-11-9-14(18-19(11)2)16(22)17-8-7-12-3-5-13(6-4-12)23-10-15(20)21/h3-6,9H,7-8,10H2,1-2H3,(H,17,22)(H,20,21)
InChIKeyCLEWIFJABJNLCC-UHFFFAOYSA-N
MW317.35 g/mol
LogP1.16
Rot. Bonds7

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

2-[4-[2-[(1,5-dimethylpyrazole-3-carbonyl)amino]ethyl]phenoxy]acetic acid (PubChem CID 119255833) has the molecular formula C16H19N3O4 and a molecular weight of 317.35 g/mol. Its IUPAC name is 2-[4-[2-[(1,5-dimethylpyrazole-3-carbonyl)amino]ethyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[2-[(1,5-dimethylpyrazole-3-carbonyl)amino]ethyl]phenoxy]acetic acid
PubChem CID119255833
Molecular FormulaC16H19N3O4
Molecular Weight317.35 g/mol
Exact Mass317.14
IUPAC Name2-[4-[2-[(1,5-dimethylpyrazole-3-carbonyl)amino]ethyl]phenoxy]acetic acid
SMILESCc1cc(C(=O)NCCc2ccc(OCC(=O)O)cc2)nn1C
InChIInChI=1S/C16H19N3O4/c1-11-9-14(18-19(11)2)16(22)17-8-7-12-3-5-13(6-4-12)23-10-15(20)21/h3-6,9H,7-8,10H2,1-2H3,(H,17,22)(H,20,21)
InChIKeyCLEWIFJABJNLCC-UHFFFAOYSA-N
XLogP1.16
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(1,3-benzodioxol-5-yl)ethyl]-1,5-dimethylpyrazole-3-carboxamide
CID 78905048
N-(2-methoxyethyl)-1,5-dimethylpyrazole-3-carboxamide
CID 19279762
2-[4-[2-(methylamino)ethyl]phenoxy]acetic acid
CID 22961946
2-[4-[2-[(1-propylpyrazole-4-carbonyl)amino]ethyl]phenoxy]acetic acid
CID 120529046
2-[4-[2-[[2-(2,4,6-trimethylphenyl)acetyl]amino]ethyl]phenoxy]acetic acid
CID 120528979
2-[4-[2-[[2-(methoxymethyl)-1,3-thiazole-4-carbonyl]amino]ethyl]phenoxy]acetic acid
CID 119255767
2-[4-[2-[(6-propan-2-yloxypyridine-2-carbonyl)amino]ethyl]phenoxy]acetic acid
CID 120528974
2-[4-[2-(3-methoxypropanoylamino)ethyl]phenoxy]acetic acid
CID 119255509
2-[4-[2-[(4,5-diethylfuran-2-carbonyl)amino]ethyl]phenoxy]acetic acid
CID 120688153
2-[4-[2-[(2,3-dimethoxybenzoyl)amino]ethyl]phenoxy]acetic acid
CID 119255472
N-[3-[4-(2-fluorophenyl)phenyl]propyl]-1,5-dimethylpyrazole-3-carboxamide
CID 138674538
5-(3-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]-1-methylpyrazole-3-carboxamide
CID 110336374

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[(1,5-dimethylpyrazole-3-carbonyl)amino]ethyl]phenoxy]acetic acid?
The IUPAC name of 2-[4-[2-[(1,5-dimethylpyrazole-3-carbonyl)amino]ethyl]phenoxy]acetic acid (CID 119255833) is 2-[4-[2-[(1,5-dimethylpyrazole-3-carbonyl)amino]ethyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-[2-[(1,5-dimethylpyrazole-3-carbonyl)amino]ethyl]phenoxy]acetic acid?
The canonical SMILES for 2-[4-[2-[(1,5-dimethylpyrazole-3-carbonyl)amino]ethyl]phenoxy]acetic acid is Cc1cc(C(=O)NCCc2ccc(OCC(=O)O)cc2)nn1C.
What is the InChIKey of 2-[4-[2-[(1,5-dimethylpyrazole-3-carbonyl)amino]ethyl]phenoxy]acetic acid?
The InChIKey is CLEWIFJABJNLCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4/c1-11-9-14(18-19(11)2)16(22)17-8-7-12-3-5-13(6-4-12)23-10-15(20)21/h3-6,9H,7-8,10H2,1-2H3,(H,17,22)(H,20,21).
What are the key properties of 2-[4-[2-[(1,5-dimethylpyrazole-3-carbonyl)amino]ethyl]phenoxy]acetic acid?
2-[4-[2-[(1,5-dimethylpyrazole-3-carbonyl)amino]ethyl]phenoxy]acetic acid has a molecular weight of 317.35 g/mol, XLogP of 1.16, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[(1,5-dimethylpyrazole-3-carbonyl)amino]ethyl]phenoxy]acetic acid is sourced from PubChem (CID 119255833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).