(2R)-4-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]morpholine-2-carboxylic acid

C15H16FN3O3 — CID 125442464

IUPAC(2R)-4-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]morpholine-2-carboxylic acid
SMILESO=C(O)[C@H]1CN(Cc2cnn(-c3cccc(F)c3)c2)CCO1
InChIInChI=1S/C15H16FN3O3/c16-12-2-1-3-13(6-12)19-9-11(7-17-19)8-18-4-5-22-14(10-18)15(20)21/h1-3,6-7,9,14H,4-5,8,10H2,(H,20,21)/t14-/m1/s1
InChIKeyIKLLARSWIRCOCU-CQSZACIVSA-N
MW305.31 g/mol
LogP1.30
Rot. Bonds4

About (2R)-4-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]morpholine-2-carboxylic acid

(2R)-4-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]morpholine-2-carboxylic acid (PubChem CID 125442464) has the molecular formula C15H16FN3O3 and a molecular weight of 305.31 g/mol. Its IUPAC name is (2R)-4-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]morpholine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-4-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]morpholine-2-carboxylic acid
PubChem CID125442464
Molecular FormulaC15H16FN3O3
Molecular Weight305.31 g/mol
Exact Mass305.12
IUPAC Name(2R)-4-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]morpholine-2-carboxylic acid
SMILESO=C(O)[C@H]1CN(Cc2cnn(-c3cccc(F)c3)c2)CCO1
InChIInChI=1S/C15H16FN3O3/c16-12-2-1-3-13(6-12)19-9-11(7-17-19)8-18-4-5-22-14(10-18)15(20)21/h1-3,6-7,9,14H,4-5,8,10H2,(H,20,21)/t14-/m1/s1
InChIKeyIKLLARSWIRCOCU-CQSZACIVSA-N
XLogP1.30
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3R)-1-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]pyrrolidin-3-yl]acetamide
CID 99954574
5,5-difluoro-1-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]piperidine-3-carboxylic acid
CID 166267907
(2S)-4-(3-fluorophenyl)morpholine-2-carboxylic acid
CID 95804351
(3aS,6aR)-2-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol
CID 138806025
N-cyclopropyl-4-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]piperazine-2-carboxamide
CID 56909325
[4-[(3-fluorophenyl)methyl]morpholin-2-yl]-pyrrolidin-1-ylmethanone
CID 155800439
4-benzyl-1-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]piperidine;hydrochloride
CID 110170320
(5R)-9-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-2-oxa-9-azaspiro[4.5]decane
CID 97210012
1-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-3-(pyrrolidin-1-ylmethyl)piperidin-3-ol
CID 70755003
(4S,9aR)-8-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-4-propyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine
CID 134704712
4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]morpholine-2-carboxylic acid
CID 115351310
4-[(4-fluoro-3-methylphenyl)methyl]morpholine-2-carboxylic acid
CID 65067073

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]morpholine-2-carboxylic acid?
The IUPAC name of (2R)-4-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]morpholine-2-carboxylic acid (CID 125442464) is (2R)-4-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]morpholine-2-carboxylic acid.
What is the SMILES notation for (2R)-4-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]morpholine-2-carboxylic acid?
The canonical SMILES for (2R)-4-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]morpholine-2-carboxylic acid is O=C(O)[C@H]1CN(Cc2cnn(-c3cccc(F)c3)c2)CCO1.
What is the InChIKey of (2R)-4-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]morpholine-2-carboxylic acid?
The InChIKey is IKLLARSWIRCOCU-CQSZACIVSA-N. The full InChI is InChI=1S/C15H16FN3O3/c16-12-2-1-3-13(6-12)19-9-11(7-17-19)8-18-4-5-22-14(10-18)15(20)21/h1-3,6-7,9,14H,4-5,8,10H2,(H,20,21)/t14-/m1/s1.
What are the key properties of (2R)-4-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]morpholine-2-carboxylic acid?
(2R)-4-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]morpholine-2-carboxylic acid has a molecular weight of 305.31 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]morpholine-2-carboxylic acid is sourced from PubChem (CID 125442464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).