2-[[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]methyl]-5-fluorobenzonitrile

C18H21FN4O — CID 95275062

IUPAC2-[[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]methyl]-5-fluorobenzonitrile
SMILESCc1cc(C)n(C[C@@H]2CN(Cc3ccc(F)cc3C#N)CCO2)n1
InChIInChI=1S/C18H21FN4O/c1-13-7-14(2)23(21-13)12-18-11-22(5-6-24-18)10-15-3-4-17(19)8-16(15)9-20/h3-4,7-8,18H,5-6,10-12H2,1-2H3/t18-/m0/s1
InChIKeyKOLFBNVNZZDMHQ-SFHVURJKSA-N
MW328.39 g/mol
LogP2.41
Rot. Bonds4

About 2-[[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]methyl]-5-fluorobenzonitrile

2-[[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]methyl]-5-fluorobenzonitrile (PubChem CID 95275062) has the molecular formula C18H21FN4O and a molecular weight of 328.39 g/mol. Its IUPAC name is 2-[[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]methyl]-5-fluorobenzonitrile.

Molecular Properties

Compound Name2-[[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]methyl]-5-fluorobenzonitrile
PubChem CID95275062
Molecular FormulaC18H21FN4O
Molecular Weight328.39 g/mol
Exact Mass328.17
IUPAC Name2-[[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]methyl]-5-fluorobenzonitrile
SMILESCc1cc(C)n(C[C@@H]2CN(Cc3ccc(F)cc3C#N)CCO2)n1
InChIInChI=1S/C18H21FN4O/c1-13-7-14(2)23(21-13)12-18-11-22(5-6-24-18)10-15-3-4-17(19)8-16(15)9-20/h3-4,7-8,18H,5-6,10-12H2,1-2H3/t18-/m0/s1
InChIKeyKOLFBNVNZZDMHQ-SFHVURJKSA-N
XLogP2.41
TPSA54.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]methyl]-5-fluorobenzonitrile 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

(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-4-[(3-fluoro-4-methoxyphenyl)methyl]morpholine
CID 95274185
(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-4-[(1-methylimidazol-2-yl)methyl]morpholine
CID 95274014
(2R)-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholine
CID 95304496
(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-4-(pyridin-3-ylmethyl)morpholine
CID 95274004
3-[[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]methyl]benzamide
CID 95274181
(2S)-4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholine
CID 95276284
N-(2-cyanopropan-2-yl)-2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-N-methylacetamide
CID 95277235
1-(azetidin-1-yl)-2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]ethanone
CID 95274182
(2S)-2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-2-(4-fluorophenyl)acetamide
CID 95276667
2-[(4-amino-3-methylpiperidin-1-yl)methyl]-5-fluorobenzonitrile
CID 79868700
4-[[4-fluoro-2-(4-hydroxybut-1-ynyl)phenyl]methyl]morpholine-2-carbonitrile
CID 79670510
5-fluoro-2-[(4-formylpiperidin-1-yl)methyl]benzonitrile
CID 55170778

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]methyl]-5-fluorobenzonitrile?
The IUPAC name of 2-[[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]methyl]-5-fluorobenzonitrile (CID 95275062) is 2-[[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]methyl]-5-fluorobenzonitrile.
What is the SMILES notation for 2-[[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]methyl]-5-fluorobenzonitrile?
The canonical SMILES for 2-[[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]methyl]-5-fluorobenzonitrile is Cc1cc(C)n(C[C@@H]2CN(Cc3ccc(F)cc3C#N)CCO2)n1.
What is the InChIKey of 2-[[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]methyl]-5-fluorobenzonitrile?
The InChIKey is KOLFBNVNZZDMHQ-SFHVURJKSA-N. The full InChI is InChI=1S/C18H21FN4O/c1-13-7-14(2)23(21-13)12-18-11-22(5-6-24-18)10-15-3-4-17(19)8-16(15)9-20/h3-4,7-8,18H,5-6,10-12H2,1-2H3/t18-/m0/s1.
What are the key properties of 2-[[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]methyl]-5-fluorobenzonitrile?
2-[[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]methyl]-5-fluorobenzonitrile has a molecular weight of 328.39 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]methyl]-5-fluorobenzonitrile is sourced from PubChem (CID 95275062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).