5-[4-(dimethylamino)phenyl]-1,4-dimethyl-N-(6-methyl-2-pyridinyl)pyrazole-3-carboxamide

C20H23N5O — CID 71579930

IUPAC5-[4-(dimethylamino)phenyl]-1,4-dimethyl-N-(6-methyl-2-pyridinyl)pyrazole-3-carboxamide
SMILESCc1cccc(NC(=O)c2nn(C)c(-c3ccc(N(C)C)cc3)c2C)n1
InChIInChI=1S/C20H23N5O/c1-13-7-6-8-17(21-13)22-20(26)18-14(2)19(25(5)23-18)15-9-11-16(12-10-15)24(3)4/h6-12H,1-5H3,(H,21,22,26)
InChIKeyJIKNBXAFNJCOIX-UHFFFAOYSA-N
MW349.44 g/mol
LogP3.42
Rot. Bonds4

About 5-[4-(dimethylamino)phenyl]-1,4-dimethyl-N-(6-methyl-2-pyridinyl)pyrazole-3-carboxamide

5-[4-(dimethylamino)phenyl]-1,4-dimethyl-N-(6-methyl-2-pyridinyl)pyrazole-3-carboxamide (PubChem CID 71579930) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 5-[4-(dimethylamino)phenyl]-1,4-dimethyl-N-(6-methyl-2-pyridinyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-[4-(dimethylamino)phenyl]-1,4-dimethyl-N-(6-methyl-2-pyridinyl)pyrazole-3-carboxamide
PubChem CID71579930
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name5-[4-(dimethylamino)phenyl]-1,4-dimethyl-N-(6-methyl-2-pyridinyl)pyrazole-3-carboxamide
SMILESCc1cccc(NC(=O)c2nn(C)c(-c3ccc(N(C)C)cc3)c2C)n1
InChIInChI=1S/C20H23N5O/c1-13-7-6-8-17(21-13)22-20(26)18-14(2)19(25(5)23-18)15-9-11-16(12-10-15)24(3)4/h6-12H,1-5H3,(H,21,22,26)
InChIKeyJIKNBXAFNJCOIX-UHFFFAOYSA-N
XLogP3.42
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(dimethylamino)phenyl]-1,4-dimethyl-N-(6-methyl-2-pyridinyl)pyrazole-3-carboxamide?
The IUPAC name of 5-[4-(dimethylamino)phenyl]-1,4-dimethyl-N-(6-methyl-2-pyridinyl)pyrazole-3-carboxamide (CID 71579930) is 5-[4-(dimethylamino)phenyl]-1,4-dimethyl-N-(6-methyl-2-pyridinyl)pyrazole-3-carboxamide.
What is the SMILES notation for 5-[4-(dimethylamino)phenyl]-1,4-dimethyl-N-(6-methyl-2-pyridinyl)pyrazole-3-carboxamide?
The canonical SMILES for 5-[4-(dimethylamino)phenyl]-1,4-dimethyl-N-(6-methyl-2-pyridinyl)pyrazole-3-carboxamide is Cc1cccc(NC(=O)c2nn(C)c(-c3ccc(N(C)C)cc3)c2C)n1.
What is the InChIKey of 5-[4-(dimethylamino)phenyl]-1,4-dimethyl-N-(6-methyl-2-pyridinyl)pyrazole-3-carboxamide?
The InChIKey is JIKNBXAFNJCOIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-13-7-6-8-17(21-13)22-20(26)18-14(2)19(25(5)23-18)15-9-11-16(12-10-15)24(3)4/h6-12H,1-5H3,(H,21,22,26).
What are the key properties of 5-[4-(dimethylamino)phenyl]-1,4-dimethyl-N-(6-methyl-2-pyridinyl)pyrazole-3-carboxamide?
5-[4-(dimethylamino)phenyl]-1,4-dimethyl-N-(6-methyl-2-pyridinyl)pyrazole-3-carboxamide has a molecular weight of 349.44 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(dimethylamino)phenyl]-1,4-dimethyl-N-(6-methyl-2-pyridinyl)pyrazole-3-carboxamide is sourced from PubChem (CID 71579930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).