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

C16H16FN3O4 — CID 129415546

IUPAC2-[(2S)-4-[1-(2-fluorophenyl)pyrazole-3-carbonyl]morpholin-2-yl]acetic acid
SMILESO=C(O)C[C@H]1CN(C(=O)c2ccn(-c3ccccc3F)n2)CCO1
InChIInChI=1S/C16H16FN3O4/c17-12-3-1-2-4-14(12)20-6-5-13(18-20)16(23)19-7-8-24-11(10-19)9-15(21)22/h1-6,11H,7-10H2,(H,21,22)/t11-/m0/s1
InChIKeyXCRTVQRQGIOSKF-NSHDSACASA-N
MW333.32 g/mol
LogP1.33
Rot. Bonds4

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

2-[(2S)-4-[1-(2-fluorophenyl)pyrazole-3-carbonyl]morpholin-2-yl]acetic acid (PubChem CID 129415546) has the molecular formula C16H16FN3O4 and a molecular weight of 333.32 g/mol. Its IUPAC name is 2-[(2S)-4-[1-(2-fluorophenyl)pyrazole-3-carbonyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[(2S)-4-[1-(2-fluorophenyl)pyrazole-3-carbonyl]morpholin-2-yl]acetic acid
PubChem CID129415546
Molecular FormulaC16H16FN3O4
Molecular Weight333.32 g/mol
Exact Mass333.11
IUPAC Name2-[(2S)-4-[1-(2-fluorophenyl)pyrazole-3-carbonyl]morpholin-2-yl]acetic acid
SMILESO=C(O)C[C@H]1CN(C(=O)c2ccn(-c3ccccc3F)n2)CCO1
InChIInChI=1S/C16H16FN3O4/c17-12-3-1-2-4-14(12)20-6-5-13(18-20)16(23)19-7-8-24-11(10-19)9-15(21)22/h1-6,11H,7-10H2,(H,21,22)/t11-/m0/s1
InChIKeyXCRTVQRQGIOSKF-NSHDSACASA-N
XLogP1.33
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.32
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2R)-4-[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]morpholin-2-yl]acetic acid
CID 124705063
2-[(2S)-4-[1-(3,4-dichlorophenyl)pyrazole-3-carbonyl]morpholin-2-yl]acetic acid
CID 124702711
[(3S)-3-aminopyrrolidin-1-yl]-[1-(2-fluorophenyl)pyrazol-3-yl]methanone
CID 124574217
2-[(2R)-4-(1-cyclopentylpyrazole-3-carbonyl)morpholin-2-yl]acetic acid
CID 124705021
2-[(2R)-4-(2-pyrazol-1-ylbenzoyl)morpholin-2-yl]acetic acid
CID 124704985
1-[1-(2-fluorophenyl)pyrazole-3-carbonyl]-5-methylpiperidine-3-carboxylic acid
CID 122118645
[(3R,4S)-3,4-dimethoxypyrrolidin-1-yl]-[1-(2-fluorophenyl)pyrazol-3-yl]methanone
CID 91653040
[(3R,5R)-3,5-dimethylpiperazin-1-yl]-[1-(2-fluorophenyl)pyrazol-3-yl]methanone
CID 124589136
[1-(2-fluorophenyl)pyrazol-3-yl]-piperazin-1-ylmethanone
CID 119400311
2-[4-(4-fluoronaphthalene-2-carbonyl)morpholin-2-yl]acetic acid
CID 167893929
2-[(2R)-4-(5-chloropyridine-2-carbonyl)morpholin-2-yl]acetic acid
CID 124515416
2-[4-[3-(2-fluorophenyl)but-2-enoyl]morpholin-2-yl]acetic acid
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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-4-[1-(2-fluorophenyl)pyrazole-3-carbonyl]morpholin-2-yl]acetic acid?
The IUPAC name of 2-[(2S)-4-[1-(2-fluorophenyl)pyrazole-3-carbonyl]morpholin-2-yl]acetic acid (CID 129415546) is 2-[(2S)-4-[1-(2-fluorophenyl)pyrazole-3-carbonyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[(2S)-4-[1-(2-fluorophenyl)pyrazole-3-carbonyl]morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[(2S)-4-[1-(2-fluorophenyl)pyrazole-3-carbonyl]morpholin-2-yl]acetic acid is O=C(O)C[C@H]1CN(C(=O)c2ccn(-c3ccccc3F)n2)CCO1.
What is the InChIKey of 2-[(2S)-4-[1-(2-fluorophenyl)pyrazole-3-carbonyl]morpholin-2-yl]acetic acid?
The InChIKey is XCRTVQRQGIOSKF-NSHDSACASA-N. The full InChI is InChI=1S/C16H16FN3O4/c17-12-3-1-2-4-14(12)20-6-5-13(18-20)16(23)19-7-8-24-11(10-19)9-15(21)22/h1-6,11H,7-10H2,(H,21,22)/t11-/m0/s1.
What are the key properties of 2-[(2S)-4-[1-(2-fluorophenyl)pyrazole-3-carbonyl]morpholin-2-yl]acetic acid?
2-[(2S)-4-[1-(2-fluorophenyl)pyrazole-3-carbonyl]morpholin-2-yl]acetic acid has a molecular weight of 333.32 g/mol, XLogP of 1.33, 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-(2-fluorophenyl)pyrazole-3-carbonyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 129415546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).