2-[3-[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]phenoxy]acetic acid

C16H19N3O4 — CID 119224878

IUPAC2-[3-[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]phenoxy]acetic acid
SMILESCC(C)c1cc(C(=O)Nc2cccc(OCC(=O)O)c2)nn1C
InChIInChI=1S/C16H19N3O4/c1-10(2)14-8-13(18-19(14)3)16(22)17-11-5-4-6-12(7-11)23-9-15(20)21/h4-8,10H,9H2,1-3H3,(H,17,22)(H,20,21)
InChIKeyRMSORHAOTBNHKP-UHFFFAOYSA-N
MW317.35 g/mol
LogP2.26
Rot. Bonds6

About 2-[3-[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]phenoxy]acetic acid

2-[3-[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]phenoxy]acetic acid (PubChem CID 119224878) has the molecular formula C16H19N3O4 and a molecular weight of 317.35 g/mol. Its IUPAC name is 2-[3-[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[3-[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]phenoxy]acetic acid
PubChem CID119224878
Molecular FormulaC16H19N3O4
Molecular Weight317.35 g/mol
Exact Mass317.14
IUPAC Name2-[3-[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]phenoxy]acetic acid
SMILESCC(C)c1cc(C(=O)Nc2cccc(OCC(=O)O)c2)nn1C
InChIInChI=1S/C16H19N3O4/c1-10(2)14-8-13(18-19(14)3)16(22)17-11-5-4-6-12(7-11)23-9-15(20)21/h4-8,10H,9H2,1-3H3,(H,17,22)(H,20,21)
InChIKeyRMSORHAOTBNHKP-UHFFFAOYSA-N
XLogP2.26
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[3-[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]benzoyl]amino]acetic acid
CID 71915540
2-[3-[(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)amino]phenoxy]acetic acid
CID 120523490
N-(4-hydroxyphenyl)-1-methyl-5-propan-2-ylpyrazole-3-carboxamide
CID 75386647
2-[3-[(4-chloropyridine-2-carbonyl)amino]phenoxy]acetic acid
CID 61058340
N-(3-methoxyphenyl)-1,5-dimethylpyrazole-3-carboxamide
CID 19279593
2-[3-[(4-bromo-1-propan-2-ylpyrrole-2-carbonyl)amino]phenoxy]acetic acid
CID 119224858
2-[3-(2-methylbutanoylamino)phenoxy]acetic acid
CID 17342096
2-[3-[(3-chlorobenzoyl)amino]phenoxy]acetic acid
CID 61058711
2-[3-(phenylcarbamoylamino)phenoxy]acetic acid
CID 61057845
2-[3-[[3-(ethylamino)-2-methylpropanoyl]amino]phenoxy]acetic acid
CID 63771678
2-[3-(butan-2-ylcarbamoylamino)phenoxy]acetic acid
CID 61188461
2-[3-[3-(3,5-dimethylpyrazol-1-yl)butanoylamino]phenoxy]acetic acid
CID 119224731

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]phenoxy]acetic acid?
The IUPAC name of 2-[3-[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]phenoxy]acetic acid (CID 119224878) is 2-[3-[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]phenoxy]acetic acid.
What is the SMILES notation for 2-[3-[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]phenoxy]acetic acid?
The canonical SMILES for 2-[3-[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]phenoxy]acetic acid is CC(C)c1cc(C(=O)Nc2cccc(OCC(=O)O)c2)nn1C.
What is the InChIKey of 2-[3-[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]phenoxy]acetic acid?
The InChIKey is RMSORHAOTBNHKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4/c1-10(2)14-8-13(18-19(14)3)16(22)17-11-5-4-6-12(7-11)23-9-15(20)21/h4-8,10H,9H2,1-3H3,(H,17,22)(H,20,21).
What are the key properties of 2-[3-[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]phenoxy]acetic acid?
2-[3-[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]phenoxy]acetic acid has a molecular weight of 317.35 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]phenoxy]acetic acid is sourced from PubChem (CID 119224878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).