1,5-dimethyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)pyrazole-3-carboxamide

C17H22N4O — CID 78904439

IUPAC1,5-dimethyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)pyrazole-3-carboxamide
SMILESCc1cc(N2CCCC2)ccc1NC(=O)c1cc(C)n(C)n1
InChIInChI=1S/C17H22N4O/c1-12-10-14(21-8-4-5-9-21)6-7-15(12)18-17(22)16-11-13(2)20(3)19-16/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,18,22)
InChIKeyOJEZJQMOOSQLAZ-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.89
Rot. Bonds3

About 1,5-dimethyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)pyrazole-3-carboxamide

1,5-dimethyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)pyrazole-3-carboxamide (PubChem CID 78904439) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 1,5-dimethyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1,5-dimethyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)pyrazole-3-carboxamide
PubChem CID78904439
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name1,5-dimethyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)pyrazole-3-carboxamide
SMILESCc1cc(N2CCCC2)ccc1NC(=O)c1cc(C)n(C)n1
InChIInChI=1S/C17H22N4O/c1-12-10-14(21-8-4-5-9-21)6-7-15(12)18-17(22)16-11-13(2)20(3)19-16/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,18,22)
InChIKeyOJEZJQMOOSQLAZ-UHFFFAOYSA-N
XLogP2.89
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)benzamide
CID 42157583
2-chloro-N-(2-methyl-4-pyrrolidin-1-ylphenyl)furan-3-carboxamide
CID 106685905
5-(azepan-1-yl)-N-(2,4-dimethylphenyl)pyridine-2-carboxamide
CID 109196864
2,5-dimethyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)furan-3-carboxamide
CID 42038603
(Z)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)but-2-enamide
CID 97305240
3-methoxy-4-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)benzamide
CID 42039924
N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-2-phenyltriazole-4-carboxamide
CID 18189625
4-bromo-N-(2-methyl-4-pyrrolidin-1-ylphenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 78895818
6-methoxy-N-(2-methyl-4-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide
CID 42040009
4-(2-methyl-4-pyrrolidin-1-ylanilino)-4-oxobutanoic acid
CID 60662781
N-(2,4-dimethylphenyl)-4-piperidin-1-ylbenzamide
CID 21173697
N-(2-tert-butylphenyl)-1,5-dimethylpyrazole-3-carboxamide
CID 110858370

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)pyrazole-3-carboxamide?
The IUPAC name of 1,5-dimethyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)pyrazole-3-carboxamide (CID 78904439) is 1,5-dimethyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1,5-dimethyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)pyrazole-3-carboxamide?
The canonical SMILES for 1,5-dimethyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)pyrazole-3-carboxamide is Cc1cc(N2CCCC2)ccc1NC(=O)c1cc(C)n(C)n1.
What is the InChIKey of 1,5-dimethyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)pyrazole-3-carboxamide?
The InChIKey is OJEZJQMOOSQLAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-12-10-14(21-8-4-5-9-21)6-7-15(12)18-17(22)16-11-13(2)20(3)19-16/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,18,22).
What are the key properties of 1,5-dimethyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)pyrazole-3-carboxamide?
1,5-dimethyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)pyrazole-3-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 78904439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).