1-methyl-5-[2-(4-methylphenyl)ethynyl]-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide

C20H24N4O2 — CID 46847550

IUPAC1-methyl-5-[2-(4-methylphenyl)ethynyl]-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide
SMILESCc1ccc(C#Cc2cc(C(=O)NCCN3CCOCC3)nn2C)cc1
InChIInChI=1S/C20H24N4O2/c1-16-3-5-17(6-4-16)7-8-18-15-19(22-23(18)2)20(25)21-9-10-24-11-13-26-14-12-24/h3-6,15H,9-14H2,1-2H3,(H,21,25)
InChIKeyXILGDNMROAHNLU-UHFFFAOYSA-N
MW352.44 g/mol
LogP1.19
Rot. Bonds4

About 1-methyl-5-[2-(4-methylphenyl)ethynyl]-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide

1-methyl-5-[2-(4-methylphenyl)ethynyl]-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide (PubChem CID 46847550) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 1-methyl-5-[2-(4-methylphenyl)ethynyl]-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-5-[2-(4-methylphenyl)ethynyl]-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide
PubChem CID46847550
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name1-methyl-5-[2-(4-methylphenyl)ethynyl]-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide
SMILESCc1ccc(C#Cc2cc(C(=O)NCCN3CCOCC3)nn2C)cc1
InChIInChI=1S/C20H24N4O2/c1-16-3-5-17(6-4-16)7-8-18-15-19(22-23(18)2)20(25)21-9-10-24-11-13-26-14-12-24/h3-6,15H,9-14H2,1-2H3,(H,21,25)
InChIKeyXILGDNMROAHNLU-UHFFFAOYSA-N
XLogP1.19
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-methyl-N-(2-morpholin-4-ylethyl)-5-[2-[2-(trifluoromethyl)phenyl]ethynyl]pyrazole-3-carboxamide
CID 46847737
1-methyl-5-(4-methylphenyl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]pyrazole-3-carboxamide
CID 110305501
5-(2-methoxy-5-methylphenyl)-1-methyl-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide
CID 110336758
4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 803484
1-methyl-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide
CID 19262651
6-methyl-N-(2-morpholin-4-ylethyl)naphthalene-2-carboxamide
CID 142825868
2-methyl-N-(2-morpholin-4-ylethyl)triazole-4-carboxamide
CID 110691363
5,6-dimethyl-6-N-[(4-methylphenyl)methyl]-2-N-(2-morpholin-4-ylethyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 46279011
5-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)thiadiazole-4-carboxamide
CID 71688703
1-methyl-5-(3-methyl-1-methylsulfonylindol-5-yl)-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide
CID 66988766
(5S,7S)-5-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 135890364
6-N-(3-methylphenyl)-2-N-(2-morpholin-4-ylethyl)pyridine-2,6-dicarboxamide
CID 109096463

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[2-(4-methylphenyl)ethynyl]-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide?
The IUPAC name of 1-methyl-5-[2-(4-methylphenyl)ethynyl]-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide (CID 46847550) is 1-methyl-5-[2-(4-methylphenyl)ethynyl]-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-methyl-5-[2-(4-methylphenyl)ethynyl]-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-methyl-5-[2-(4-methylphenyl)ethynyl]-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide is Cc1ccc(C#Cc2cc(C(=O)NCCN3CCOCC3)nn2C)cc1.
What is the InChIKey of 1-methyl-5-[2-(4-methylphenyl)ethynyl]-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide?
The InChIKey is XILGDNMROAHNLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-16-3-5-17(6-4-16)7-8-18-15-19(22-23(18)2)20(25)21-9-10-24-11-13-26-14-12-24/h3-6,15H,9-14H2,1-2H3,(H,21,25).
What are the key properties of 1-methyl-5-[2-(4-methylphenyl)ethynyl]-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide?
1-methyl-5-[2-(4-methylphenyl)ethynyl]-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide has a molecular weight of 352.44 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[2-(4-methylphenyl)ethynyl]-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 46847550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).