2-[4-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]morpholin-3-yl]acetic acid

C17H21N3O4 — CID 56912179

IUPAC2-[4-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]morpholin-3-yl]acetic acid
SMILESCOc1ccc(-n2cccn2)c(CN2CCOCC2CC(=O)O)c1
InChIInChI=1S/C17H21N3O4/c1-23-15-3-4-16(20-6-2-5-18-20)13(9-15)11-19-7-8-24-12-14(19)10-17(21)22/h2-6,9,14H,7-8,10-12H2,1H3,(H,21,22)
InChIKeyYMMCYTCTACPOPO-UHFFFAOYSA-N
MW331.37 g/mol
LogP1.56
Rot. Bonds6

About 2-[4-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]morpholin-3-yl]acetic acid

2-[4-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]morpholin-3-yl]acetic acid (PubChem CID 56912179) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is 2-[4-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]morpholin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]morpholin-3-yl]acetic acid
PubChem CID56912179
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC Name2-[4-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]morpholin-3-yl]acetic acid
SMILESCOc1ccc(-n2cccn2)c(CN2CCOCC2CC(=O)O)c1
InChIInChI=1S/C17H21N3O4/c1-23-15-3-4-16(20-6-2-5-18-20)13(9-15)11-19-7-8-24-12-14(19)10-17(21)22/h2-6,9,14H,7-8,10-12H2,1H3,(H,21,22)
InChIKeyYMMCYTCTACPOPO-UHFFFAOYSA-N
XLogP1.56
TPSA76.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-4-[(5-methyl-2-pyrazol-1-ylphenyl)methyl]morpholine-3-carboxylic acid
CID 91840072
1-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]-4-(oxan-4-yl)piperazine
CID 74246666
ethyl 4-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]piperazine-1-carboxylate
CID 91767325
4-[3-(5-methoxy-2-pyrazol-1-ylphenyl)propyl]morpholine
CID 170869588
(4aS,7aR)-4-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]-1-methyl-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazine 6,6-dioxide
CID 133128684
1-(furan-2-ylmethyl)-4-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]piperazine
CID 135096544
ethyl 2-[4-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl]morpholin-3-yl]acetate
CID 45189758
2-[(3R)-4-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]morpholin-3-yl]acetic acid
CID 95718552
(3S,4R)-4-[ethyl-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]amino]oxolan-3-ol
CID 133122718
4-[(2-bromo-5-methoxyphenyl)methyl]-3-ethylmorpholine
CID 65326745
2-[4-[[2-(2-phenylethoxy)phenyl]methyl]morpholin-3-yl]acetic acid
CID 56917100
2-[(3R)-4-[[2-(2-phenylethoxy)phenyl]methyl]morpholin-3-yl]acetic acid
CID 95729743

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]morpholin-3-yl]acetic acid?
The IUPAC name of 2-[4-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]morpholin-3-yl]acetic acid (CID 56912179) is 2-[4-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]morpholin-3-yl]acetic acid.
What is the SMILES notation for 2-[4-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]morpholin-3-yl]acetic acid?
The canonical SMILES for 2-[4-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]morpholin-3-yl]acetic acid is COc1ccc(-n2cccn2)c(CN2CCOCC2CC(=O)O)c1.
What is the InChIKey of 2-[4-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]morpholin-3-yl]acetic acid?
The InChIKey is YMMCYTCTACPOPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4/c1-23-15-3-4-16(20-6-2-5-18-20)13(9-15)11-19-7-8-24-12-14(19)10-17(21)22/h2-6,9,14H,7-8,10-12H2,1H3,(H,21,22).
What are the key properties of 2-[4-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]morpholin-3-yl]acetic acid?
2-[4-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]morpholin-3-yl]acetic acid has a molecular weight of 331.37 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]morpholin-3-yl]acetic acid is sourced from PubChem (CID 56912179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).