2-[(2S)-4-[1-(3,4-dichlorophenyl)pyrazole-3-carbonyl]morpholin-2-yl]acetic acid

C16H15Cl2N3O4 — CID 124702711

IUPAC2-[(2S)-4-[1-(3,4-dichlorophenyl)pyrazole-3-carbonyl]morpholin-2-yl]acetic acid
SMILESO=C(O)C[C@H]1CN(C(=O)c2ccn(-c3ccc(Cl)c(Cl)c3)n2)CCO1
InChIInChI=1S/C16H15Cl2N3O4/c17-12-2-1-10(7-13(12)18)21-4-3-14(19-21)16(24)20-5-6-25-11(9-20)8-15(22)23/h1-4,7,11H,5-6,8-9H2,(H,22,23)/t11-/m0/s1
InChIKeyFOSFZKATZSXDIL-NSHDSACASA-N
MW384.22 g/mol
LogP2.49
Rot. Bonds4

About 2-[(2S)-4-[1-(3,4-dichlorophenyl)pyrazole-3-carbonyl]morpholin-2-yl]acetic acid

2-[(2S)-4-[1-(3,4-dichlorophenyl)pyrazole-3-carbonyl]morpholin-2-yl]acetic acid (PubChem CID 124702711) has the molecular formula C16H15Cl2N3O4 and a molecular weight of 384.22 g/mol. Its IUPAC name is 2-[(2S)-4-[1-(3,4-dichlorophenyl)pyrazole-3-carbonyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[(2S)-4-[1-(3,4-dichlorophenyl)pyrazole-3-carbonyl]morpholin-2-yl]acetic acid
PubChem CID124702711
Molecular FormulaC16H15Cl2N3O4
Molecular Weight384.22 g/mol
Exact Mass383.04
IUPAC Name2-[(2S)-4-[1-(3,4-dichlorophenyl)pyrazole-3-carbonyl]morpholin-2-yl]acetic acid
SMILESO=C(O)C[C@H]1CN(C(=O)c2ccn(-c3ccc(Cl)c(Cl)c3)n2)CCO1
InChIInChI=1S/C16H15Cl2N3O4/c17-12-2-1-10(7-13(12)18)21-4-3-14(19-21)16(24)20-5-6-25-11(9-20)8-15(22)23/h1-4,7,11H,5-6,8-9H2,(H,22,23)/t11-/m0/s1
InChIKeyFOSFZKATZSXDIL-NSHDSACASA-N
XLogP2.49
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.22
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[1-(3,4-dichlorophenyl)pyrazole-3-carbonyl]piperidin-4-yl]acetic acid
CID 119178472
2-[(2S)-4-[1-(2-fluorophenyl)pyrazole-3-carbonyl]morpholin-2-yl]acetic acid
CID 129415546
2-[(2R)-4-(1-cyclopentylpyrazole-3-carbonyl)morpholin-2-yl]acetic acid
CID 124705021
2-[4-(4-pyrazol-1-ylpyridine-2-carbonyl)morpholin-2-yl]acetic acid
CID 120527660
(2S)-4-[1-(3-chlorophenyl)pyrazole-3-carbonyl]morpholine-2-carboxylic acid
CID 125120451
2-[(2R)-4-(5-chloropyridine-2-carbonyl)morpholin-2-yl]acetic acid
CID 124515416
2-[4-(2-chloro-5-methylsulfanylbenzoyl)morpholin-2-yl]acetic acid
CID 66420368
[1-(3,4-dichlorophenyl)pyrazol-3-yl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 119645690
2-[(2R)-4-[1-(4-chlorophenyl)pyrazole-4-carbonyl]morpholin-2-yl]acetic acid
CID 124705038
2-[(2R)-4-(3-pyrazol-1-ylbenzoyl)morpholin-2-yl]acetic acid
CID 124705020
(2S)-4-(1-phenylpyrazole-3-carbonyl)morpholine-2-carboxylic acid
CID 125148641
(2S)-4-[1-(4-fluorophenyl)pyrazole-3-carbonyl]morpholine-2-carboxylic acid
CID 125120561

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-4-[1-(3,4-dichlorophenyl)pyrazole-3-carbonyl]morpholin-2-yl]acetic acid?
The IUPAC name of 2-[(2S)-4-[1-(3,4-dichlorophenyl)pyrazole-3-carbonyl]morpholin-2-yl]acetic acid (CID 124702711) is 2-[(2S)-4-[1-(3,4-dichlorophenyl)pyrazole-3-carbonyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[(2S)-4-[1-(3,4-dichlorophenyl)pyrazole-3-carbonyl]morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[(2S)-4-[1-(3,4-dichlorophenyl)pyrazole-3-carbonyl]morpholin-2-yl]acetic acid is O=C(O)C[C@H]1CN(C(=O)c2ccn(-c3ccc(Cl)c(Cl)c3)n2)CCO1.
What is the InChIKey of 2-[(2S)-4-[1-(3,4-dichlorophenyl)pyrazole-3-carbonyl]morpholin-2-yl]acetic acid?
The InChIKey is FOSFZKATZSXDIL-NSHDSACASA-N. The full InChI is InChI=1S/C16H15Cl2N3O4/c17-12-2-1-10(7-13(12)18)21-4-3-14(19-21)16(24)20-5-6-25-11(9-20)8-15(22)23/h1-4,7,11H,5-6,8-9H2,(H,22,23)/t11-/m0/s1.
What are the key properties of 2-[(2S)-4-[1-(3,4-dichlorophenyl)pyrazole-3-carbonyl]morpholin-2-yl]acetic acid?
2-[(2S)-4-[1-(3,4-dichlorophenyl)pyrazole-3-carbonyl]morpholin-2-yl]acetic acid has a molecular weight of 384.22 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-4-[1-(3,4-dichlorophenyl)pyrazole-3-carbonyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 124702711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).