2-[4-[[1-(4-methoxyphenyl)pyrazole-3-carbonyl]amino]oxan-4-yl]acetic acid

C18H21N3O5 — CID 119215495

IUPAC2-[4-[[1-(4-methoxyphenyl)pyrazole-3-carbonyl]amino]oxan-4-yl]acetic acid
SMILESCOc1ccc(-n2ccc(C(=O)NC3(CC(=O)O)CCOCC3)n2)cc1
InChIInChI=1S/C18H21N3O5/c1-25-14-4-2-13(3-5-14)21-9-6-15(20-21)17(24)19-18(12-16(22)23)7-10-26-11-8-18/h2-6,9H,7-8,10-12H2,1H3,(H,19,24)(H,22,23)
InChIKeySFZIQJQFFVVTQR-UHFFFAOYSA-N
MW359.38 g/mol
LogP1.63
Rot. Bonds6

About 2-[4-[[1-(4-methoxyphenyl)pyrazole-3-carbonyl]amino]oxan-4-yl]acetic acid

2-[4-[[1-(4-methoxyphenyl)pyrazole-3-carbonyl]amino]oxan-4-yl]acetic acid (PubChem CID 119215495) has the molecular formula C18H21N3O5 and a molecular weight of 359.38 g/mol. Its IUPAC name is 2-[4-[[1-(4-methoxyphenyl)pyrazole-3-carbonyl]amino]oxan-4-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[[1-(4-methoxyphenyl)pyrazole-3-carbonyl]amino]oxan-4-yl]acetic acid
PubChem CID119215495
Molecular FormulaC18H21N3O5
Molecular Weight359.38 g/mol
Exact Mass359.15
IUPAC Name2-[4-[[1-(4-methoxyphenyl)pyrazole-3-carbonyl]amino]oxan-4-yl]acetic acid
SMILESCOc1ccc(-n2ccc(C(=O)NC3(CC(=O)O)CCOCC3)n2)cc1
InChIInChI=1S/C18H21N3O5/c1-25-14-4-2-13(3-5-14)21-9-6-15(20-21)17(24)19-18(12-16(22)23)7-10-26-11-8-18/h2-6,9H,7-8,10-12H2,1H3,(H,19,24)(H,22,23)
InChIKeySFZIQJQFFVVTQR-UHFFFAOYSA-N
XLogP1.63
TPSA102.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[4-[[1-(4-methoxyphenyl)pyrazole-3-carbonyl]amino]oxan-4-yl]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-[4-[[1-[3-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]amino]oxan-4-yl]acetic acid
CID 119215328
2-[4-[[2-(4-methoxyphenyl)-1,3-thiazole-5-carbonyl]amino]oxan-4-yl]acetic acid
CID 119215655
2-[1-[(4-methoxybenzoyl)amino]cyclopentyl]acetic acid
CID 64670427
2-[[1-(4-methoxyphenyl)pyrazole-3-carbonyl]amino]butanoic acid
CID 119223991
2-[4-[6-(4-methoxyphenyl)hexanoylamino]oxan-4-yl]acetic acid
CID 119214832
(2,2-dimethylpyrrolidin-1-yl)-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone
CID 86768279
(2S)-2-[[1-(4-methoxyphenyl)pyrazole-3-carbonyl]amino]-4-methylpentanoic acid
CID 119361697
N-[4-(bromomethyl)oxan-4-yl]-4-methoxybenzamide
CID 114170583
2-[4-(quinoxaline-2-carbonylamino)oxan-4-yl]acetic acid
CID 119214947
N-(3-aminopropyl)-1-(4-methoxyphenyl)pyrazole-3-carboxamide;hydrochloride
CID 119407978
N-(2-hydroxyphenyl)-1-(4-methoxyphenyl)pyrazole-3-carboxamide
CID 60572392
2-[4-[(2-propan-2-yl-1,3-thiazole-4-carbonyl)amino]oxan-4-yl]acetic acid
CID 119215163

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[1-(4-methoxyphenyl)pyrazole-3-carbonyl]amino]oxan-4-yl]acetic acid?
The IUPAC name of 2-[4-[[1-(4-methoxyphenyl)pyrazole-3-carbonyl]amino]oxan-4-yl]acetic acid (CID 119215495) is 2-[4-[[1-(4-methoxyphenyl)pyrazole-3-carbonyl]amino]oxan-4-yl]acetic acid.
What is the SMILES notation for 2-[4-[[1-(4-methoxyphenyl)pyrazole-3-carbonyl]amino]oxan-4-yl]acetic acid?
The canonical SMILES for 2-[4-[[1-(4-methoxyphenyl)pyrazole-3-carbonyl]amino]oxan-4-yl]acetic acid is COc1ccc(-n2ccc(C(=O)NC3(CC(=O)O)CCOCC3)n2)cc1.
What is the InChIKey of 2-[4-[[1-(4-methoxyphenyl)pyrazole-3-carbonyl]amino]oxan-4-yl]acetic acid?
The InChIKey is SFZIQJQFFVVTQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O5/c1-25-14-4-2-13(3-5-14)21-9-6-15(20-21)17(24)19-18(12-16(22)23)7-10-26-11-8-18/h2-6,9H,7-8,10-12H2,1H3,(H,19,24)(H,22,23).
What are the key properties of 2-[4-[[1-(4-methoxyphenyl)pyrazole-3-carbonyl]amino]oxan-4-yl]acetic acid?
2-[4-[[1-(4-methoxyphenyl)pyrazole-3-carbonyl]amino]oxan-4-yl]acetic acid has a molecular weight of 359.38 g/mol, XLogP of 1.63, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[1-(4-methoxyphenyl)pyrazole-3-carbonyl]amino]oxan-4-yl]acetic acid is sourced from PubChem (CID 119215495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).