2-[4-[3-(2-chlorophenyl)-1-methylpyrazole-4-carbonyl]morpholin-2-yl]acetic acid

C17H18ClN3O4 — CID 119248246

IUPAC2-[4-[3-(2-chlorophenyl)-1-methylpyrazole-4-carbonyl]morpholin-2-yl]acetic acid
SMILESCn1cc(C(=O)N2CCOC(CC(=O)O)C2)c(-c2ccccc2Cl)n1
InChIInChI=1S/C17H18ClN3O4/c1-20-10-13(16(19-20)12-4-2-3-5-14(12)18)17(24)21-6-7-25-11(9-21)8-15(22)23/h2-5,10-11H,6-9H2,1H3,(H,22,23)
InChIKeyDJEPZLYKHUODFN-UHFFFAOYSA-N
MW363.80 g/mol
LogP2.06
Rot. Bonds4

About 2-[4-[3-(2-chlorophenyl)-1-methylpyrazole-4-carbonyl]morpholin-2-yl]acetic acid

2-[4-[3-(2-chlorophenyl)-1-methylpyrazole-4-carbonyl]morpholin-2-yl]acetic acid (PubChem CID 119248246) has the molecular formula C17H18ClN3O4 and a molecular weight of 363.80 g/mol. Its IUPAC name is 2-[4-[3-(2-chlorophenyl)-1-methylpyrazole-4-carbonyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[3-(2-chlorophenyl)-1-methylpyrazole-4-carbonyl]morpholin-2-yl]acetic acid
PubChem CID119248246
Molecular FormulaC17H18ClN3O4
Molecular Weight363.80 g/mol
Exact Mass363.10
IUPAC Name2-[4-[3-(2-chlorophenyl)-1-methylpyrazole-4-carbonyl]morpholin-2-yl]acetic acid
SMILESCn1cc(C(=O)N2CCOC(CC(=O)O)C2)c(-c2ccccc2Cl)n1
InChIInChI=1S/C17H18ClN3O4/c1-20-10-13(16(19-20)12-4-2-3-5-14(12)18)17(24)21-6-7-25-11(9-21)8-15(22)23/h2-5,10-11H,6-9H2,1H3,(H,22,23)
InChIKeyDJEPZLYKHUODFN-UHFFFAOYSA-N
XLogP2.06
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.80
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(3-ethyl-1-methylpyrazole-4-carbonyl)morpholin-2-yl]acetic acid
CID 102810250
[3-(2-chlorophenyl)-1-methylpyrazol-4-yl]-[(3R)-3-methylpiperazin-1-yl]methanone
CID 124620567
[(3R)-3-aminopiperidin-1-yl]-[3-(2-chlorophenyl)-1-methylpyrazol-4-yl]methanone
CID 124594316
2-[4-(5-chloro-2-methylbenzoyl)morpholin-2-yl]acetic acid
CID 82883345
2-[4-(2-chloro-5-methylsulfanylbenzoyl)morpholin-2-yl]acetic acid
CID 66420368
[3-(1-aminoethyl)piperidin-1-yl]-[3-(2-chlorophenyl)-1-methylpyrazol-4-yl]methanone;hydrochloride
CID 119596816
2-[4-(2-nitrobenzoyl)morpholin-2-yl]acetic acid
CID 66421162
1-[3-(2-chlorophenyl)-1-methylpyrazole-4-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 119256786
2-[(2S)-4-(1-benzyl-5-methylpyrazole-4-carbonyl)morpholin-2-yl]acetic acid
CID 124697770
2-[(2R)-4-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)benzoyl]morpholin-2-yl]acetic acid
CID 125151527
2-[4-(2-ethylsulfonylbenzoyl)morpholin-2-yl]acetic acid
CID 119248776
2-[(2R)-4-(5-methyl-1-phenylpyrazole-4-carbonyl)morpholin-2-yl]acetic acid
CID 124697804

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(2-chlorophenyl)-1-methylpyrazole-4-carbonyl]morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-[3-(2-chlorophenyl)-1-methylpyrazole-4-carbonyl]morpholin-2-yl]acetic acid (CID 119248246) is 2-[4-[3-(2-chlorophenyl)-1-methylpyrazole-4-carbonyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-[3-(2-chlorophenyl)-1-methylpyrazole-4-carbonyl]morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-[3-(2-chlorophenyl)-1-methylpyrazole-4-carbonyl]morpholin-2-yl]acetic acid is Cn1cc(C(=O)N2CCOC(CC(=O)O)C2)c(-c2ccccc2Cl)n1.
What is the InChIKey of 2-[4-[3-(2-chlorophenyl)-1-methylpyrazole-4-carbonyl]morpholin-2-yl]acetic acid?
The InChIKey is DJEPZLYKHUODFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O4/c1-20-10-13(16(19-20)12-4-2-3-5-14(12)18)17(24)21-6-7-25-11(9-21)8-15(22)23/h2-5,10-11H,6-9H2,1H3,(H,22,23).
What are the key properties of 2-[4-[3-(2-chlorophenyl)-1-methylpyrazole-4-carbonyl]morpholin-2-yl]acetic acid?
2-[4-[3-(2-chlorophenyl)-1-methylpyrazole-4-carbonyl]morpholin-2-yl]acetic acid has a molecular weight of 363.80 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(2-chlorophenyl)-1-methylpyrazole-4-carbonyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 119248246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).