2-(4-fluorophenyl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]morpholine-4-carboxamide

C22H23FN4O2 — CID 55931256

IUPAC2-(4-fluorophenyl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]morpholine-4-carboxamide
SMILESO=C(NCc1cccc(Cn2cccn2)c1)N1CCOC(c2ccc(F)cc2)C1
InChIInChI=1S/C22H23FN4O2/c23-20-7-5-19(6-8-20)21-16-26(11-12-29-21)22(28)24-14-17-3-1-4-18(13-17)15-27-10-2-9-25-27/h1-10,13,21H,11-12,14-16H2,(H,24,28)
InChIKeyPACKFEOIUWJMRM-UHFFFAOYSA-N
MW394.45 g/mol
LogP3.35
Rot. Bonds5

About 2-(4-fluorophenyl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]morpholine-4-carboxamide

2-(4-fluorophenyl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]morpholine-4-carboxamide (PubChem CID 55931256) has the molecular formula C22H23FN4O2 and a molecular weight of 394.45 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]morpholine-4-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]morpholine-4-carboxamide
PubChem CID55931256
Molecular FormulaC22H23FN4O2
Molecular Weight394.45 g/mol
Exact Mass394.18
IUPAC Name2-(4-fluorophenyl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]morpholine-4-carboxamide
SMILESO=C(NCc1cccc(Cn2cccn2)c1)N1CCOC(c2ccc(F)cc2)C1
InChIInChI=1S/C22H23FN4O2/c23-20-7-5-19(6-8-20)21-16-26(11-12-29-21)22(28)24-14-17-3-1-4-18(13-17)15-27-10-2-9-25-27/h1-10,13,21H,11-12,14-16H2,(H,24,28)
InChIKeyPACKFEOIUWJMRM-UHFFFAOYSA-N
XLogP3.35
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-methylpropyl)pyrazol-4-yl]-2-phenylmorpholine-4-carboxamide
CID 72117260
1-[2-(4-Fluorophenyl)-2-hydroxyethyl]-3-(3-pyrazol-1-ylpropyl)urea
CID 45828551
N-{(2R*,4R*,6S*)-2-phenyl-6-[3-(1H-pyrazol-1-ylmethyl)phenyl]tetrahydro-2H-pyran-4-yl}acetamide
CID 50954174
2-(4-fluorophenyl)-4-[3-(1H-pyrazol-1-ylmethyl)benzoyl]morpholine
CID 56745763
(2R)-2-(4-ethylphenyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]morpholine-4-carboxamide
CID 99829614
4-allyl-4-(benzyloxy)-N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]piperidine-1-carboxamide
CID 119063879
1-[2-[4-[(4-Fluorophenyl)methyl]phenyl]morpholin-4-yl]-3-pyrazol-1-ylpropan-1-one
CID 170732208
2-(3,4-difluorophenyl)-N-[2-(hydroxymethyl)-3-(1-methylpyrazol-4-yl)propyl]morpholine-4-carboxamide
CID 176413191
1-[2-(4-Fluorophenoxy)ethyl]-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]urea
CID 36167891
1-[2-(3-Fluorophenoxy)ethyl]-3-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]urea
CID 38337565
1-[[4-(Pyrazol-1-ylmethyl)phenyl]methyl]-3-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]urea
CID 41200006
1-[[2-(Pyrazol-1-ylmethyl)phenyl]methyl]-3-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]urea
CID 41200024

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]morpholine-4-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]morpholine-4-carboxamide (CID 55931256) is 2-(4-fluorophenyl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]morpholine-4-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]morpholine-4-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]morpholine-4-carboxamide is O=C(NCc1cccc(Cn2cccn2)c1)N1CCOC(c2ccc(F)cc2)C1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]morpholine-4-carboxamide?
The InChIKey is PACKFEOIUWJMRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O2/c23-20-7-5-19(6-8-20)21-16-26(11-12-29-21)22(28)24-14-17-3-1-4-18(13-17)15-27-10-2-9-25-27/h1-10,13,21H,11-12,14-16H2,(H,24,28).
What are the key properties of 2-(4-fluorophenyl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]morpholine-4-carboxamide?
2-(4-fluorophenyl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]morpholine-4-carboxamide has a molecular weight of 394.45 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]morpholine-4-carboxamide is sourced from PubChem (CID 55931256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).