N-(4-methylphenyl)-3-(morpholine-4-carbonyl)pyrazole-1-carboxamide

C16H18N4O3 — CID 5348323

IUPACN-(4-methylphenyl)-3-(morpholine-4-carbonyl)pyrazole-1-carboxamide
SMILESCc1ccc(NC(=O)n2ccc(C(=O)N3CCOCC3)n2)cc1
InChIInChI=1S/C16H18N4O3/c1-12-2-4-13(5-3-12)17-16(22)20-7-6-14(18-20)15(21)19-8-10-23-11-9-19/h2-7H,8-11H2,1H3,(H,17,22)
InChIKeyNFOGYGGXXJKOKH-UHFFFAOYSA-N
MW314.34 g/mol
LogP1.74
Rot. Bonds2

About N-(4-methylphenyl)-3-(morpholine-4-carbonyl)pyrazole-1-carboxamide

N-(4-methylphenyl)-3-(morpholine-4-carbonyl)pyrazole-1-carboxamide (PubChem CID 5348323) has the molecular formula C16H18N4O3 and a molecular weight of 314.34 g/mol. Its IUPAC name is N-(4-methylphenyl)-3-(morpholine-4-carbonyl)pyrazole-1-carboxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-3-(morpholine-4-carbonyl)pyrazole-1-carboxamide
PubChem CID5348323
Molecular FormulaC16H18N4O3
Molecular Weight314.34 g/mol
Exact Mass314.14
IUPAC NameN-(4-methylphenyl)-3-(morpholine-4-carbonyl)pyrazole-1-carboxamide
SMILESCc1ccc(NC(=O)n2ccc(C(=O)N3CCOCC3)n2)cc1
InChIInChI=1S/C16H18N4O3/c1-12-2-4-13(5-3-12)17-16(22)20-7-6-14(18-20)15(21)19-8-10-23-11-9-19/h2-7H,8-11H2,1H3,(H,17,22)
InChIKeyNFOGYGGXXJKOKH-UHFFFAOYSA-N
XLogP1.74
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chlorophenyl)-3-(morpholine-4-carbonyl)pyrazole-1-carboxamide
CID 671243
1-N,4-N-bis(4-methylphenyl)piperazine-1,4-dicarboxamide
CID 4055899
N-(4-methylphenyl)-3-(morpholine-4-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
CID 109075452
(E)-4,4-dichloro-N-(4-methylphenyl)-3-morpholin-4-ylbut-2-enamide
CID 134921836
2-amino-2-(4-methylphenyl)-N-[4-(morpholine-4-carbonyl)phenyl]acetamide;hydrochloride
CID 120667122
N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]morpholine-4-carboxamide
CID 3261830
ethane;N-(4-methylphenyl)-2-morpholin-4-ylacetamide
CID 142923820
2-(4-methylphenoxy)-N-[4-(morpholine-4-carbonyl)phenyl]propanamide
CID 17194734
N-[4-[[5-(morpholine-4-carbonyl)pyrazin-2-yl]amino]phenyl]acetamide
CID 109276515
ethane;(4-methylphenyl)-morpholin-4-ylmethanone;propane
CID 176553137
N,4-bis(4-methylphenyl)piperazine-1-carboxamide
CID 113111254
N-[4-(methylcarbamoyl)phenyl]morpholine-4-carboxamide
CID 47033018

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-3-(morpholine-4-carbonyl)pyrazole-1-carboxamide?
The IUPAC name of N-(4-methylphenyl)-3-(morpholine-4-carbonyl)pyrazole-1-carboxamide (CID 5348323) is N-(4-methylphenyl)-3-(morpholine-4-carbonyl)pyrazole-1-carboxamide.
What is the SMILES notation for N-(4-methylphenyl)-3-(morpholine-4-carbonyl)pyrazole-1-carboxamide?
The canonical SMILES for N-(4-methylphenyl)-3-(morpholine-4-carbonyl)pyrazole-1-carboxamide is Cc1ccc(NC(=O)n2ccc(C(=O)N3CCOCC3)n2)cc1.
What is the InChIKey of N-(4-methylphenyl)-3-(morpholine-4-carbonyl)pyrazole-1-carboxamide?
The InChIKey is NFOGYGGXXJKOKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3/c1-12-2-4-13(5-3-12)17-16(22)20-7-6-14(18-20)15(21)19-8-10-23-11-9-19/h2-7H,8-11H2,1H3,(H,17,22).
What are the key properties of N-(4-methylphenyl)-3-(morpholine-4-carbonyl)pyrazole-1-carboxamide?
N-(4-methylphenyl)-3-(morpholine-4-carbonyl)pyrazole-1-carboxamide has a molecular weight of 314.34 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-3-(morpholine-4-carbonyl)pyrazole-1-carboxamide is sourced from PubChem (CID 5348323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).