2-[(2R)-4-[1-(4-chlorophenyl)pyrazole-4-carbonyl]morpholin-2-yl]acetic acid

C16H16ClN3O4 — CID 124705038

IUPAC2-[(2R)-4-[1-(4-chlorophenyl)pyrazole-4-carbonyl]morpholin-2-yl]acetic acid
SMILESO=C(O)C[C@@H]1CN(C(=O)c2cnn(-c3ccc(Cl)cc3)c2)CCO1
InChIInChI=1S/C16H16ClN3O4/c17-12-1-3-13(4-2-12)20-9-11(8-18-20)16(23)19-5-6-24-14(10-19)7-15(21)22/h1-4,8-9,14H,5-7,10H2,(H,21,22)/t14-/m1/s1
InChIKeyJKBNXEUYBMNPNF-CQSZACIVSA-N
MW349.77 g/mol
LogP1.84
Rot. Bonds4

About 2-[(2R)-4-[1-(4-chlorophenyl)pyrazole-4-carbonyl]morpholin-2-yl]acetic acid

2-[(2R)-4-[1-(4-chlorophenyl)pyrazole-4-carbonyl]morpholin-2-yl]acetic acid (PubChem CID 124705038) has the molecular formula C16H16ClN3O4 and a molecular weight of 349.77 g/mol. Its IUPAC name is 2-[(2R)-4-[1-(4-chlorophenyl)pyrazole-4-carbonyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[(2R)-4-[1-(4-chlorophenyl)pyrazole-4-carbonyl]morpholin-2-yl]acetic acid
PubChem CID124705038
Molecular FormulaC16H16ClN3O4
Molecular Weight349.77 g/mol
Exact Mass349.08
IUPAC Name2-[(2R)-4-[1-(4-chlorophenyl)pyrazole-4-carbonyl]morpholin-2-yl]acetic acid
SMILESO=C(O)C[C@@H]1CN(C(=O)c2cnn(-c3ccc(Cl)cc3)c2)CCO1
InChIInChI=1S/C16H16ClN3O4/c17-12-1-3-13(4-2-12)20-9-11(8-18-20)16(23)19-5-6-24-14(10-19)7-15(21)22/h1-4,8-9,14H,5-7,10H2,(H,21,22)/t14-/m1/s1
InChIKeyJKBNXEUYBMNPNF-CQSZACIVSA-N
XLogP1.84
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.77
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(1-ethylpyrazole-4-carbonyl)morpholin-2-yl]acetic acid
CID 119248465
(2-ethylmorpholin-4-yl)-(1-pyridin-4-ylpyrazol-4-yl)methanone
CID 154797843
2-[(2R)-4-(1-tert-butylpyrazole-4-carbonyl)morpholin-2-yl]acetic acid
CID 124682530
2-[(2S)-4-(1-tert-butylpyrazole-4-carbonyl)morpholin-2-yl]acetic acid
CID 124682528
2-[4-(6-chloropyridine-3-carbonyl)morpholin-2-yl]acetic acid
CID 66420959
2-[(2R)-4-(5-chloropyridine-2-carbonyl)morpholin-2-yl]acetic acid
CID 124515416
2-[4-[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]morpholin-2-yl]acetic acid
CID 119247970
2-[4-[3-(1-phenylpyrazol-4-yl)prop-2-enoyl]morpholin-2-yl]acetic acid
CID 126779749
2-[4-(4-amino-3-fluorobenzoyl)morpholin-2-yl]acetic acid
CID 66434587
2-[4-(5-chloro-2-methylbenzoyl)morpholin-2-yl]acetic acid
CID 82883345
2-[4-(3-bromo-5-chlorobenzoyl)morpholin-2-yl]acetic acid
CID 107938149
2-[4-(3-fluoro-4-methylbenzoyl)morpholin-2-yl]acetic acid
CID 66421551

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-4-[1-(4-chlorophenyl)pyrazole-4-carbonyl]morpholin-2-yl]acetic acid?
The IUPAC name of 2-[(2R)-4-[1-(4-chlorophenyl)pyrazole-4-carbonyl]morpholin-2-yl]acetic acid (CID 124705038) is 2-[(2R)-4-[1-(4-chlorophenyl)pyrazole-4-carbonyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[(2R)-4-[1-(4-chlorophenyl)pyrazole-4-carbonyl]morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[(2R)-4-[1-(4-chlorophenyl)pyrazole-4-carbonyl]morpholin-2-yl]acetic acid is O=C(O)C[C@@H]1CN(C(=O)c2cnn(-c3ccc(Cl)cc3)c2)CCO1.
What is the InChIKey of 2-[(2R)-4-[1-(4-chlorophenyl)pyrazole-4-carbonyl]morpholin-2-yl]acetic acid?
The InChIKey is JKBNXEUYBMNPNF-CQSZACIVSA-N. The full InChI is InChI=1S/C16H16ClN3O4/c17-12-1-3-13(4-2-12)20-9-11(8-18-20)16(23)19-5-6-24-14(10-19)7-15(21)22/h1-4,8-9,14H,5-7,10H2,(H,21,22)/t14-/m1/s1.
What are the key properties of 2-[(2R)-4-[1-(4-chlorophenyl)pyrazole-4-carbonyl]morpholin-2-yl]acetic acid?
2-[(2R)-4-[1-(4-chlorophenyl)pyrazole-4-carbonyl]morpholin-2-yl]acetic acid has a molecular weight of 349.77 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-4-[1-(4-chlorophenyl)pyrazole-4-carbonyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 124705038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).