5-(1-benzylpyrazol-4-yl)-1-methyl-4-morpholin-4-ylpyridin-2-one

C20H22N4O2 — CID 135355370

IUPAC5-(1-benzylpyrazol-4-yl)-1-methyl-4-morpholin-4-ylpyridin-2-one
SMILESCn1cc(-c2cnn(Cc3ccccc3)c2)c(N2CCOCC2)cc1=O
InChIInChI=1S/C20H22N4O2/c1-22-15-18(19(11-20(22)25)23-7-9-26-10-8-23)17-12-21-24(14-17)13-16-5-3-2-4-6-16/h2-6,11-12,14-15H,7-10,13H2,1H3
InChIKeyNILNUKFRJHEWCJ-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.13
Rot. Bonds4

About 5-(1-benzylpyrazol-4-yl)-1-methyl-4-morpholin-4-ylpyridin-2-one

5-(1-benzylpyrazol-4-yl)-1-methyl-4-morpholin-4-ylpyridin-2-one (PubChem CID 135355370) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 5-(1-benzylpyrazol-4-yl)-1-methyl-4-morpholin-4-ylpyridin-2-one.

Molecular Properties

Compound Name5-(1-benzylpyrazol-4-yl)-1-methyl-4-morpholin-4-ylpyridin-2-one
PubChem CID135355370
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name5-(1-benzylpyrazol-4-yl)-1-methyl-4-morpholin-4-ylpyridin-2-one
SMILESCn1cc(-c2cnn(Cc3ccccc3)c2)c(N2CCOCC2)cc1=O
InChIInChI=1S/C20H22N4O2/c1-22-15-18(19(11-20(22)25)23-7-9-26-10-8-23)17-12-21-24(14-17)13-16-5-3-2-4-6-16/h2-6,11-12,14-15H,7-10,13H2,1H3
InChIKeyNILNUKFRJHEWCJ-UHFFFAOYSA-N
XLogP2.13
TPSA52.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-Methoxymethyl-1-(2-pyrazol-1-yl-ethyl)-piperidin-4-yl]-N-phenyl-propionamide
CID 14879863
(E)-3-[4-(1-methylpyrazol-4-yl)-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide
CID 126568661
N-{[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}-N-methyl-3-morpholin-4-ylpropan-1-amine
CID 16188428
US10617680, Example 149
CID 135355382
US10617680, Example 318
CID 135355558
N-[1-[2-(4-iodopyrazol-1-yl)ethyl]-4-(methoxymethyl)piperidin-4-yl]-N-phenylpropanamide
CID 14879868
US10617680, Example 6
CID 135355311
US10617680, Example 21
CID 135355395
US10617680, Example 26
CID 135355442
US10617680, Example 130
CID 135355071
US10617680, Example 135
CID 135355120
US10617680, Example 283
CID 135355121

Frequently Asked Questions

What is the IUPAC name of 5-(1-benzylpyrazol-4-yl)-1-methyl-4-morpholin-4-ylpyridin-2-one?
The IUPAC name of 5-(1-benzylpyrazol-4-yl)-1-methyl-4-morpholin-4-ylpyridin-2-one (CID 135355370) is 5-(1-benzylpyrazol-4-yl)-1-methyl-4-morpholin-4-ylpyridin-2-one.
What is the SMILES notation for 5-(1-benzylpyrazol-4-yl)-1-methyl-4-morpholin-4-ylpyridin-2-one?
The canonical SMILES for 5-(1-benzylpyrazol-4-yl)-1-methyl-4-morpholin-4-ylpyridin-2-one is Cn1cc(-c2cnn(Cc3ccccc3)c2)c(N2CCOCC2)cc1=O.
What is the InChIKey of 5-(1-benzylpyrazol-4-yl)-1-methyl-4-morpholin-4-ylpyridin-2-one?
The InChIKey is NILNUKFRJHEWCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-22-15-18(19(11-20(22)25)23-7-9-26-10-8-23)17-12-21-24(14-17)13-16-5-3-2-4-6-16/h2-6,11-12,14-15H,7-10,13H2,1H3.
What are the key properties of 5-(1-benzylpyrazol-4-yl)-1-methyl-4-morpholin-4-ylpyridin-2-one?
5-(1-benzylpyrazol-4-yl)-1-methyl-4-morpholin-4-ylpyridin-2-one has a molecular weight of 350.42 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzylpyrazol-4-yl)-1-methyl-4-morpholin-4-ylpyridin-2-one is sourced from PubChem (CID 135355370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).