3-fluoro-4-[[(3R)-3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]methyl]benzonitrile

C18H21FN4O — CID 97332910

IUPAC3-fluoro-4-[[(3R)-3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]methyl]benzonitrile
SMILESCc1nn(C)c(C)c1[C@@H]1COCCN1Cc1ccc(C#N)cc1F
InChIInChI=1S/C18H21FN4O/c1-12-18(13(2)22(3)21-12)17-11-24-7-6-23(17)10-15-5-4-14(9-20)8-16(15)19/h4-5,8,17H,6-7,10-11H2,1-3H3/t17-/m0/s1
InChIKeyPQDXBEVWKUYZEA-KRWDZBQOSA-N
MW328.39 g/mol
LogP2.62
Rot. Bonds3

About 3-fluoro-4-[[(3R)-3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]methyl]benzonitrile

3-fluoro-4-[[(3R)-3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]methyl]benzonitrile (PubChem CID 97332910) has the molecular formula C18H21FN4O and a molecular weight of 328.39 g/mol. Its IUPAC name is 3-fluoro-4-[[(3R)-3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]methyl]benzonitrile.

Molecular Properties

Compound Name3-fluoro-4-[[(3R)-3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]methyl]benzonitrile
PubChem CID97332910
Molecular FormulaC18H21FN4O
Molecular Weight328.39 g/mol
Exact Mass328.17
IUPAC Name3-fluoro-4-[[(3R)-3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]methyl]benzonitrile
SMILESCc1nn(C)c(C)c1[C@@H]1COCCN1Cc1ccc(C#N)cc1F
InChIInChI=1S/C18H21FN4O/c1-12-18(13(2)22(3)21-12)17-11-24-7-6-23(17)10-15-5-4-14(9-20)8-16(15)19/h4-5,8,17H,6-7,10-11H2,1-3H3/t17-/m0/s1
InChIKeyPQDXBEVWKUYZEA-KRWDZBQOSA-N
XLogP2.62
TPSA54.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-fluoro-4-[[(3R)-3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]methyl]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[3-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]morpholin-4-yl]methyl]-3-fluorobenzonitrile
CID 75475552
4-[[3-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]morpholin-4-yl]methyl]benzonitrile
CID 75475548
3-fluoro-4-[[(3S)-3-[(1R,2R)-2-methoxycyclopentyl]morpholin-4-yl]methyl]benzonitrile
CID 129483965
3-fluoro-4-[[(3R)-3-[(1S,2R)-2-methoxycyclopentyl]morpholin-4-yl]methyl]benzonitrile
CID 129483966
(3S)-4-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)morpholine
CID 97332909
4-[(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)methyl]-3-fluorobenzonitrile
CID 51295478
3-fluoro-4-[(2-methylazetidin-1-yl)methyl]benzonitrile
CID 79687406
3-fluoro-4-[[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]benzonitrile
CID 95327863
methyl 4-[(5-cyano-2-fluorophenyl)methyl]morpholine-3-carboxylate
CID 115670726
4-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholine
CID 126794730
4-bromo-3-[(3-methylmorpholin-4-yl)methyl]benzonitrile
CID 67025538
(2,3-difluorophenyl)-[(3S)-3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]methanone
CID 97332849

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[[(3R)-3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]methyl]benzonitrile?
The IUPAC name of 3-fluoro-4-[[(3R)-3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]methyl]benzonitrile (CID 97332910) is 3-fluoro-4-[[(3R)-3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]methyl]benzonitrile.
What is the SMILES notation for 3-fluoro-4-[[(3R)-3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]methyl]benzonitrile?
The canonical SMILES for 3-fluoro-4-[[(3R)-3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]methyl]benzonitrile is Cc1nn(C)c(C)c1[C@@H]1COCCN1Cc1ccc(C#N)cc1F.
What is the InChIKey of 3-fluoro-4-[[(3R)-3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]methyl]benzonitrile?
The InChIKey is PQDXBEVWKUYZEA-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H21FN4O/c1-12-18(13(2)22(3)21-12)17-11-24-7-6-23(17)10-15-5-4-14(9-20)8-16(15)19/h4-5,8,17H,6-7,10-11H2,1-3H3/t17-/m0/s1.
What are the key properties of 3-fluoro-4-[[(3R)-3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]methyl]benzonitrile?
3-fluoro-4-[[(3R)-3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]methyl]benzonitrile has a molecular weight of 328.39 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[[(3R)-3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]methyl]benzonitrile is sourced from PubChem (CID 97332910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).