4-methyl-N-[2-(morpholin-4-ylmethyl)phenyl]-3-pyrazol-1-ylbenzamide

C22H24N4O2 — CID 46968974

IUPAC4-methyl-N-[2-(morpholin-4-ylmethyl)phenyl]-3-pyrazol-1-ylbenzamide
SMILESCc1ccc(C(=O)Nc2ccccc2CN2CCOCC2)cc1-n1cccn1
InChIInChI=1S/C22H24N4O2/c1-17-7-8-18(15-21(17)26-10-4-9-23-26)22(27)24-20-6-3-2-5-19(20)16-25-11-13-28-14-12-25/h2-10,15H,11-14,16H2,1H3,(H,24,27)
InChIKeyHBZMNXDNPBJWKY-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.27
Rot. Bonds5

About 4-methyl-N-[2-(morpholin-4-ylmethyl)phenyl]-3-pyrazol-1-ylbenzamide

4-methyl-N-[2-(morpholin-4-ylmethyl)phenyl]-3-pyrazol-1-ylbenzamide (PubChem CID 46968974) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 4-methyl-N-[2-(morpholin-4-ylmethyl)phenyl]-3-pyrazol-1-ylbenzamide.

Molecular Properties

Compound Name4-methyl-N-[2-(morpholin-4-ylmethyl)phenyl]-3-pyrazol-1-ylbenzamide
PubChem CID46968974
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name4-methyl-N-[2-(morpholin-4-ylmethyl)phenyl]-3-pyrazol-1-ylbenzamide
SMILESCc1ccc(C(=O)Nc2ccccc2CN2CCOCC2)cc1-n1cccn1
InChIInChI=1S/C22H24N4O2/c1-17-7-8-18(15-21(17)26-10-4-9-23-26)22(27)24-20-6-3-2-5-19(20)16-25-11-13-28-14-12-25/h2-10,15H,11-14,16H2,1H3,(H,24,27)
InChIKeyHBZMNXDNPBJWKY-UHFFFAOYSA-N
XLogP3.27
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]-3-pyrrol-1-ylbenzamide
CID 46427634
3,5-dichloro-N-[2-(morpholin-4-ylmethyl)phenyl]benzamide
CID 55898935
2,6-dimethyl-N-[2-(morpholin-4-ylmethyl)phenyl]pyrimidine-4-carboxamide
CID 131930694
N-[2-(morpholin-4-ylmethyl)phenyl]-3,4-dihydro-2H-chromene-6-carboxamide
CID 131919078
2-methyl-5-methylsulfonyl-N-[2-(morpholin-4-ylmethyl)phenyl]benzamide
CID 55899314
4-[[2-(morpholin-4-ylmethyl)phenyl]carbamoyl]thiophene-2-carboxylic acid
CID 166295875
1-(4-hydroxy-2-methylphenyl)-3-[2-(morpholin-4-ylmethyl)phenyl]urea
CID 122150685
1-benzyl-N-[2-(morpholin-4-ylmethyl)phenyl]pyrazole-4-carboxamide
CID 131931531
1-ethyl-4,6-dimethyl-N-[2-(morpholin-4-ylmethyl)phenyl]-2-oxopyridine-3-carboxamide
CID 131905733
N-[2-(1H-benzimidazol-2-yl)phenyl]-3-methyl-4-(morpholin-4-ylmethyl)benzamide
CID 70914499
4-(tert-butylsulfamoyl)-N-[2-(morpholin-4-ylmethyl)phenyl]benzamide
CID 55900084
N-[5-tert-butyl-2-methoxy-3-(morpholin-4-ylmethyl)phenyl]-4-methyl-3-(4-pyridin-3-yltriazol-1-yl)benzamide
CID 25172462

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(morpholin-4-ylmethyl)phenyl]-3-pyrazol-1-ylbenzamide?
The IUPAC name of 4-methyl-N-[2-(morpholin-4-ylmethyl)phenyl]-3-pyrazol-1-ylbenzamide (CID 46968974) is 4-methyl-N-[2-(morpholin-4-ylmethyl)phenyl]-3-pyrazol-1-ylbenzamide.
What is the SMILES notation for 4-methyl-N-[2-(morpholin-4-ylmethyl)phenyl]-3-pyrazol-1-ylbenzamide?
The canonical SMILES for 4-methyl-N-[2-(morpholin-4-ylmethyl)phenyl]-3-pyrazol-1-ylbenzamide is Cc1ccc(C(=O)Nc2ccccc2CN2CCOCC2)cc1-n1cccn1.
What is the InChIKey of 4-methyl-N-[2-(morpholin-4-ylmethyl)phenyl]-3-pyrazol-1-ylbenzamide?
The InChIKey is HBZMNXDNPBJWKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-17-7-8-18(15-21(17)26-10-4-9-23-26)22(27)24-20-6-3-2-5-19(20)16-25-11-13-28-14-12-25/h2-10,15H,11-14,16H2,1H3,(H,24,27).
What are the key properties of 4-methyl-N-[2-(morpholin-4-ylmethyl)phenyl]-3-pyrazol-1-ylbenzamide?
4-methyl-N-[2-(morpholin-4-ylmethyl)phenyl]-3-pyrazol-1-ylbenzamide has a molecular weight of 376.46 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(morpholin-4-ylmethyl)phenyl]-3-pyrazol-1-ylbenzamide is sourced from PubChem (CID 46968974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).