3-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea

C19H26FN5O2 — CID 86912681

IUPAC3-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea
SMILESCN(Cc1cnn(C)c1)C(=O)NCC(c1ccc(F)cc1)N1CCOCC1
InChIInChI=1S/C19H26FN5O2/c1-23(13-15-11-22-24(2)14-15)19(26)21-12-18(25-7-9-27-10-8-25)16-3-5-17(20)6-4-16/h3-6,11,14,18H,7-10,12-13H2,1-2H3,(H,21,26)
InChIKeyDAZFBGUSNSTFDK-UHFFFAOYSA-N
MW375.45 g/mol
LogP1.77
Rot. Bonds6

About 3-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea

3-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea (PubChem CID 86912681) has the molecular formula C19H26FN5O2 and a molecular weight of 375.45 g/mol. Its IUPAC name is 3-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea.

Molecular Properties

Compound Name3-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea
PubChem CID86912681
Molecular FormulaC19H26FN5O2
Molecular Weight375.45 g/mol
Exact Mass375.21
IUPAC Name3-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea
SMILESCN(Cc1cnn(C)c1)C(=O)NCC(c1ccc(F)cc1)N1CCOCC1
InChIInChI=1S/C19H26FN5O2/c1-23(13-15-11-22-24(2)14-15)19(26)21-12-18(25-7-9-27-10-8-25)16-3-5-17(20)6-4-16/h3-6,11,14,18H,7-10,12-13H2,1-2H3,(H,21,26)
InChIKeyDAZFBGUSNSTFDK-UHFFFAOYSA-N
XLogP1.77
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-methylpropanamide
CID 30334846
2-(4-fluorophenyl)-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]acetamide
CID 30834749
N-[(2R)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-2-(4-fluorophenyl)acetamide
CID 7496721
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(4-methylphenyl)acetamide
CID 17459584
2,2-dichloro-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]propanamide
CID 3673625
N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1-methylindole-3-carboxamide
CID 29223882
1-[(4-fluorophenyl)methyl]-3-(2-morpholin-4-yl-2-phenylethyl)urea
CID 42890407
N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-methylsulfanylbenzamide
CID 2460009
N-[2-(4-ethylphenyl)-2-morpholin-4-ylethyl]-4-(4-fluorophenyl)butanamide
CID 110304177
1-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-pyridin-3-ylurea
CID 18101833
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-2-(4-fluorophenyl)acetamide
CID 112503799
1-[2-(4-fluorophenyl)ethyl]-3-[(2R)-2-morpholin-4-yl-2-phenylethyl]urea
CID 51934907

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea?
The IUPAC name of 3-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea (CID 86912681) is 3-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea.
What is the SMILES notation for 3-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea?
The canonical SMILES for 3-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea is CN(Cc1cnn(C)c1)C(=O)NCC(c1ccc(F)cc1)N1CCOCC1.
What is the InChIKey of 3-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea?
The InChIKey is DAZFBGUSNSTFDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN5O2/c1-23(13-15-11-22-24(2)14-15)19(26)21-12-18(25-7-9-27-10-8-25)16-3-5-17(20)6-4-16/h3-6,11,14,18H,7-10,12-13H2,1-2H3,(H,21,26).
What are the key properties of 3-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea?
3-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea has a molecular weight of 375.45 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea is sourced from PubChem (CID 86912681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).