(2R)-N-[2-(3-fluorophenyl)pyrazol-3-yl]-2-[[(2S)-oxan-2-yl]methoxy]propanamide

C18H22FN3O3 — CID 124617035

IUPAC(2R)-N-[2-(3-fluorophenyl)pyrazol-3-yl]-2-[[(2S)-oxan-2-yl]methoxy]propanamide
SMILESC[C@@H](OC[C@@H]1CCCCO1)C(=O)Nc1ccnn1-c1cccc(F)c1
InChIInChI=1S/C18H22FN3O3/c1-13(25-12-16-7-2-3-10-24-16)18(23)21-17-8-9-20-22(17)15-6-4-5-14(19)11-15/h4-6,8-9,11,13,16H,2-3,7,10,12H2,1H3,(H,21,23)/t13-,16+/m1/s1
InChIKeyXSURSTDKAPMQPX-CJNGLKHVSA-N
MW347.39 g/mol
LogP2.92
Rot. Bonds6

About (2R)-N-[2-(3-fluorophenyl)pyrazol-3-yl]-2-[[(2S)-oxan-2-yl]methoxy]propanamide

(2R)-N-[2-(3-fluorophenyl)pyrazol-3-yl]-2-[[(2S)-oxan-2-yl]methoxy]propanamide (PubChem CID 124617035) has the molecular formula C18H22FN3O3 and a molecular weight of 347.39 g/mol. Its IUPAC name is (2R)-N-[2-(3-fluorophenyl)pyrazol-3-yl]-2-[[(2S)-oxan-2-yl]methoxy]propanamide.

Molecular Properties

Compound Name(2R)-N-[2-(3-fluorophenyl)pyrazol-3-yl]-2-[[(2S)-oxan-2-yl]methoxy]propanamide
PubChem CID124617035
Molecular FormulaC18H22FN3O3
Molecular Weight347.39 g/mol
Exact Mass347.16
IUPAC Name(2R)-N-[2-(3-fluorophenyl)pyrazol-3-yl]-2-[[(2S)-oxan-2-yl]methoxy]propanamide
SMILESC[C@@H](OC[C@@H]1CCCCO1)C(=O)Nc1ccnn1-c1cccc(F)c1
InChIInChI=1S/C18H22FN3O3/c1-13(25-12-16-7-2-3-10-24-16)18(23)21-17-8-9-20-22(17)15-6-4-5-14(19)11-15/h4-6,8-9,11,13,16H,2-3,7,10,12H2,1H3,(H,21,23)/t13-,16+/m1/s1
InChIKeyXSURSTDKAPMQPX-CJNGLKHVSA-N
XLogP2.92
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-(3-fluorophenyl)pyrazol-3-yl]-2-[[(2S)-oxan-2-yl]methoxy]propanamide?
The IUPAC name of (2R)-N-[2-(3-fluorophenyl)pyrazol-3-yl]-2-[[(2S)-oxan-2-yl]methoxy]propanamide (CID 124617035) is (2R)-N-[2-(3-fluorophenyl)pyrazol-3-yl]-2-[[(2S)-oxan-2-yl]methoxy]propanamide.
What is the SMILES notation for (2R)-N-[2-(3-fluorophenyl)pyrazol-3-yl]-2-[[(2S)-oxan-2-yl]methoxy]propanamide?
The canonical SMILES for (2R)-N-[2-(3-fluorophenyl)pyrazol-3-yl]-2-[[(2S)-oxan-2-yl]methoxy]propanamide is C[C@@H](OC[C@@H]1CCCCO1)C(=O)Nc1ccnn1-c1cccc(F)c1.
What is the InChIKey of (2R)-N-[2-(3-fluorophenyl)pyrazol-3-yl]-2-[[(2S)-oxan-2-yl]methoxy]propanamide?
The InChIKey is XSURSTDKAPMQPX-CJNGLKHVSA-N. The full InChI is InChI=1S/C18H22FN3O3/c1-13(25-12-16-7-2-3-10-24-16)18(23)21-17-8-9-20-22(17)15-6-4-5-14(19)11-15/h4-6,8-9,11,13,16H,2-3,7,10,12H2,1H3,(H,21,23)/t13-,16+/m1/s1.
What are the key properties of (2R)-N-[2-(3-fluorophenyl)pyrazol-3-yl]-2-[[(2S)-oxan-2-yl]methoxy]propanamide?
(2R)-N-[2-(3-fluorophenyl)pyrazol-3-yl]-2-[[(2S)-oxan-2-yl]methoxy]propanamide has a molecular weight of 347.39 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-(3-fluorophenyl)pyrazol-3-yl]-2-[[(2S)-oxan-2-yl]methoxy]propanamide is sourced from PubChem (CID 124617035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).