2-[3-[2-(2-methyl-5-propan-2-ylphenoxy)propanoylamino]pyrazol-1-yl]acetic acid

C18H23N3O4 — CID 119231144

IUPAC2-[3-[2-(2-methyl-5-propan-2-ylphenoxy)propanoylamino]pyrazol-1-yl]acetic acid
SMILESCc1ccc(C(C)C)cc1OC(C)C(=O)Nc1ccn(CC(=O)O)n1
InChIInChI=1S/C18H23N3O4/c1-11(2)14-6-5-12(3)15(9-14)25-13(4)18(24)19-16-7-8-21(20-16)10-17(22)23/h5-9,11,13H,10H2,1-4H3,(H,22,23)(H,19,20,24)
InChIKeyWPSKWPMDHVTOGZ-UHFFFAOYSA-N
MW345.40 g/mol
LogP2.81
Rot. Bonds7

About 2-[3-[2-(2-methyl-5-propan-2-ylphenoxy)propanoylamino]pyrazol-1-yl]acetic acid

2-[3-[2-(2-methyl-5-propan-2-ylphenoxy)propanoylamino]pyrazol-1-yl]acetic acid (PubChem CID 119231144) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is 2-[3-[2-(2-methyl-5-propan-2-ylphenoxy)propanoylamino]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[2-(2-methyl-5-propan-2-ylphenoxy)propanoylamino]pyrazol-1-yl]acetic acid
PubChem CID119231144
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC Name2-[3-[2-(2-methyl-5-propan-2-ylphenoxy)propanoylamino]pyrazol-1-yl]acetic acid
SMILESCc1ccc(C(C)C)cc1OC(C)C(=O)Nc1ccn(CC(=O)O)n1
InChIInChI=1S/C18H23N3O4/c1-11(2)14-6-5-12(3)15(9-14)25-13(4)18(24)19-16-7-8-21(20-16)10-17(22)23/h5-9,11,13H,10H2,1-4H3,(H,22,23)(H,19,20,24)
InChIKeyWPSKWPMDHVTOGZ-UHFFFAOYSA-N
XLogP2.81
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-2-(2-methyl-5-propan-2-ylphenoxy)propanamide
CID 47115044
N-[2-(ethylamino)ethyl]-2-(2-methyl-5-propan-2-ylphenoxy)propanamide;hydrochloride
CID 119508717
2-[3-[3-(4-methylphenyl)pentanoylamino]pyrazol-1-yl]acetic acid
CID 119231284
2-[3-[3-(2-methylphenyl)propanoylamino]pyrazol-1-yl]acetic acid
CID 119230672
N-(5-methyl-1,2-oxazol-3-yl)-2-(2-methyl-5-propan-2-ylphenoxy)butanamide
CID 24533964
2-[3-[[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]pyrazol-1-yl]acetic acid
CID 119231075
2-[3-[(3,4,5-trimethoxybenzoyl)amino]pyrazol-1-yl]acetic acid
CID 119230555
N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-2-phenoxypropanamide
CID 60607724
2-[3-[(2-benzylsulfanyl-3-methylbutanoyl)amino]pyrazol-1-yl]acetic acid
CID 119230981
N'-(4-methoxypyrimidin-2-yl)-2-(2-methyl-5-propan-2-ylphenoxy)propanehydrazide
CID 60509664
4-[[2-(2-methyl-5-propan-2-ylphenoxy)propanoylamino]methyl]oxane-4-carboxylic acid
CID 120542344
2-[3-[(2-oxo-6-propan-2-yl-1H-pyridine-4-carbonyl)amino]pyrazol-1-yl]acetic acid
CID 167878130

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(2-methyl-5-propan-2-ylphenoxy)propanoylamino]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[3-[2-(2-methyl-5-propan-2-ylphenoxy)propanoylamino]pyrazol-1-yl]acetic acid (CID 119231144) is 2-[3-[2-(2-methyl-5-propan-2-ylphenoxy)propanoylamino]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[3-[2-(2-methyl-5-propan-2-ylphenoxy)propanoylamino]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[3-[2-(2-methyl-5-propan-2-ylphenoxy)propanoylamino]pyrazol-1-yl]acetic acid is Cc1ccc(C(C)C)cc1OC(C)C(=O)Nc1ccn(CC(=O)O)n1.
What is the InChIKey of 2-[3-[2-(2-methyl-5-propan-2-ylphenoxy)propanoylamino]pyrazol-1-yl]acetic acid?
The InChIKey is WPSKWPMDHVTOGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4/c1-11(2)14-6-5-12(3)15(9-14)25-13(4)18(24)19-16-7-8-21(20-16)10-17(22)23/h5-9,11,13H,10H2,1-4H3,(H,22,23)(H,19,20,24).
What are the key properties of 2-[3-[2-(2-methyl-5-propan-2-ylphenoxy)propanoylamino]pyrazol-1-yl]acetic acid?
2-[3-[2-(2-methyl-5-propan-2-ylphenoxy)propanoylamino]pyrazol-1-yl]acetic acid has a molecular weight of 345.40 g/mol, XLogP of 2.81, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(2-methyl-5-propan-2-ylphenoxy)propanoylamino]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 119231144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).