(2S)-N-[2-(dimethylamino)ethyl]-4-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]morpholine-2-carboxamide

C19H26FN5O2 — CID 95895704

IUPAC(2S)-N-[2-(dimethylamino)ethyl]-4-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]morpholine-2-carboxamide
SMILESCN(C)CCNC(=O)[C@@H]1CN(Cc2cnn(-c3ccccc3F)c2)CCO1
InChIInChI=1S/C19H26FN5O2/c1-23(2)8-7-21-19(26)18-14-24(9-10-27-18)12-15-11-22-25(13-15)17-6-4-3-5-16(17)20/h3-6,11,13,18H,7-10,12,14H2,1-2H3,(H,21,26)/t18-/m0/s1
InChIKeyLQONBSXXTJEEOQ-SFHVURJKSA-N
MW375.45 g/mol
LogP0.89
Rot. Bonds7

About (2S)-N-[2-(dimethylamino)ethyl]-4-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]morpholine-2-carboxamide

(2S)-N-[2-(dimethylamino)ethyl]-4-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]morpholine-2-carboxamide (PubChem CID 95895704) has the molecular formula C19H26FN5O2 and a molecular weight of 375.45 g/mol. Its IUPAC name is (2S)-N-[2-(dimethylamino)ethyl]-4-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]morpholine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[2-(dimethylamino)ethyl]-4-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]morpholine-2-carboxamide
PubChem CID95895704
Molecular FormulaC19H26FN5O2
Molecular Weight375.45 g/mol
Exact Mass375.21
IUPAC Name(2S)-N-[2-(dimethylamino)ethyl]-4-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]morpholine-2-carboxamide
SMILESCN(C)CCNC(=O)[C@@H]1CN(Cc2cnn(-c3ccccc3F)c2)CCO1
InChIInChI=1S/C19H26FN5O2/c1-23(2)8-7-21-19(26)18-14-24(9-10-27-18)12-15-11-22-25(13-15)17-6-4-3-5-16(17)20/h3-6,11,13,18H,7-10,12,14H2,1-2H3,(H,21,26)/t18-/m0/s1
InChIKeyLQONBSXXTJEEOQ-SFHVURJKSA-N
XLogP0.89
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(dimethylamino)ethyl]-4-pyrimidin-2-ylmorpholine-2-carboxamide
CID 110268136
(2R)-4-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]morpholine-2-carboxylic acid
CID 125442464
(2S)-4-benzyl-N-(2-methoxyethyl)morpholine-2-carboxamide
CID 95636050
(2S)-4-benzyl-N-[2-(4-cyanopyrazol-1-yl)ethyl]morpholine-2-carboxamide
CID 95775919
2-[4-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]-1-methylpiperazin-2-yl]ethanol;2,2,2-trifluoroacetic acid
CID 154886299
2-[(2S)-4-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]-1-propan-2-ylpiperazin-2-yl]ethanol
CID 29212798
(2S)-4-benzyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]morpholine-2-carboxamide
CID 97008441
N-[[(3R)-1-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]piperidin-3-yl]methyl]pyridine-3-carboxamide
CID 97278122
(7S,9aR)-2-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]-7-propan-2-yl-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
CID 126461179
N-(2-aminoethyl)-1-[(1-phenylpyrazol-4-yl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119916715
(2S)-4-benzyl-N-[3-(1,3-thiazol-2-yl)propyl]morpholine-2-carboxamide
CID 97215996
(2S)-4-[[6-(2,6-difluorophenoxy)-3-pyridinyl]methyl]-N-methylmorpholine-2-carboxamide
CID 146522960

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(dimethylamino)ethyl]-4-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]morpholine-2-carboxamide?
The IUPAC name of (2S)-N-[2-(dimethylamino)ethyl]-4-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]morpholine-2-carboxamide (CID 95895704) is (2S)-N-[2-(dimethylamino)ethyl]-4-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]morpholine-2-carboxamide.
What is the SMILES notation for (2S)-N-[2-(dimethylamino)ethyl]-4-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]morpholine-2-carboxamide?
The canonical SMILES for (2S)-N-[2-(dimethylamino)ethyl]-4-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]morpholine-2-carboxamide is CN(C)CCNC(=O)[C@@H]1CN(Cc2cnn(-c3ccccc3F)c2)CCO1.
What is the InChIKey of (2S)-N-[2-(dimethylamino)ethyl]-4-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]morpholine-2-carboxamide?
The InChIKey is LQONBSXXTJEEOQ-SFHVURJKSA-N. The full InChI is InChI=1S/C19H26FN5O2/c1-23(2)8-7-21-19(26)18-14-24(9-10-27-18)12-15-11-22-25(13-15)17-6-4-3-5-16(17)20/h3-6,11,13,18H,7-10,12,14H2,1-2H3,(H,21,26)/t18-/m0/s1.
What are the key properties of (2S)-N-[2-(dimethylamino)ethyl]-4-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]morpholine-2-carboxamide?
(2S)-N-[2-(dimethylamino)ethyl]-4-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]morpholine-2-carboxamide has a molecular weight of 375.45 g/mol, XLogP of 0.89, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(dimethylamino)ethyl]-4-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]morpholine-2-carboxamide is sourced from PubChem (CID 95895704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).