4-acetyl-2-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]benzonitrile

C17H18N4O2 — CID 133443381

IUPAC4-acetyl-2-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]benzonitrile
SMILESCC(=O)c1ccc(C#N)c(N2CCOC(Cn3cccn3)C2)c1
InChIInChI=1S/C17H18N4O2/c1-13(22)14-3-4-15(10-18)17(9-14)20-7-8-23-16(11-20)12-21-6-2-5-19-21/h2-6,9,16H,7-8,11-12H2,1H3
InChIKeyMKYKWCVOXPDVNO-UHFFFAOYSA-N
MW310.36 g/mol
LogP1.86
Rot. Bonds4

About 4-acetyl-2-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]benzonitrile

4-acetyl-2-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]benzonitrile (PubChem CID 133443381) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 4-acetyl-2-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]benzonitrile.

Molecular Properties

Compound Name4-acetyl-2-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]benzonitrile
PubChem CID133443381
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name4-acetyl-2-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]benzonitrile
SMILESCC(=O)c1ccc(C#N)c(N2CCOC(Cn3cccn3)C2)c1
InChIInChI=1S/C17H18N4O2/c1-13(22)14-3-4-15(10-18)17(9-14)20-7-8-23-16(11-20)12-21-6-2-5-19-21/h2-6,9,16H,7-8,11-12H2,1H3
InChIKeyMKYKWCVOXPDVNO-UHFFFAOYSA-N
XLogP1.86
TPSA71.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-acetyl-2-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]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

2-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1H-quinolin-4-one
CID 155540568
3-methyl-2-[4-[1-(2-morpholinoethyl)pyrazol-4-yl]phenyl]-1H-quinolin-4-one
CID 70689977
3-[(E)-3-morpholin-4-ylprop-2-enoyl]-1,5-diphenylpyrazole-4-carbonitrile
CID 50908155
1-(3'-(1-(2-Morpholinoethyl)-1H-pyrazol-3-yl)biphenyl-3-yl)ethanone
CID 29182137
N,N-dimethyl-3-[[2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]benzamide
CID 53562908
4-[[2-[(4-Methylpyrazol-1-yl)methyl]morpholin-4-yl]methyl]benzamide
CID 53564767
[2-(Aminomethyl)morpholin-4-yl]-(3-pyrazol-1-ylphenyl)methanone
CID 56741181
4-(4-{[1-(1-Ethyl-1H-pyrazole-3-carbonyl)piperidin-4-YL]methyl}benzoyl)morpholine
CID 124046033
1-[3-(1-benzyl-1H-pyrazol-4-yl)-4-morpholin-4-ylphenyl]ethanone
CID 72837642
N-[2-methyl-5-(morpholine-4-carbonyl)phenyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
CID 136534929
3-(3-Morpholin-4-ylprop-2-enoyl)-1,5-diphenylpyrazole-4-carbonitrile
CID 75579388
(E)-1-(3-fluoro-4-morpholin-4-ylphenyl)-3-(1-methylpyrazol-4-yl)prop-2-en-1-one
CID 29897920

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-2-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]benzonitrile?
The IUPAC name of 4-acetyl-2-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]benzonitrile (CID 133443381) is 4-acetyl-2-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]benzonitrile.
What is the SMILES notation for 4-acetyl-2-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]benzonitrile?
The canonical SMILES for 4-acetyl-2-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]benzonitrile is CC(=O)c1ccc(C#N)c(N2CCOC(Cn3cccn3)C2)c1.
What is the InChIKey of 4-acetyl-2-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]benzonitrile?
The InChIKey is MKYKWCVOXPDVNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-13(22)14-3-4-15(10-18)17(9-14)20-7-8-23-16(11-20)12-21-6-2-5-19-21/h2-6,9,16H,7-8,11-12H2,1H3.
What are the key properties of 4-acetyl-2-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]benzonitrile?
4-acetyl-2-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]benzonitrile has a molecular weight of 310.36 g/mol, XLogP of 1.86, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-2-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]benzonitrile is sourced from PubChem (CID 133443381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).