1,4-dimethyl-N-(6-methyl-2-pyridinyl)-5-pyridin-4-ylpyrazole-3-carboxamide

C17H17N5O — CID 71580019

IUPAC1,4-dimethyl-N-(6-methyl-2-pyridinyl)-5-pyridin-4-ylpyrazole-3-carboxamide
SMILESCc1cccc(NC(=O)c2nn(C)c(-c3ccncc3)c2C)n1
InChIInChI=1S/C17H17N5O/c1-11-5-4-6-14(19-11)20-17(23)15-12(2)16(22(3)21-15)13-7-9-18-10-8-13/h4-10H,1-3H3,(H,19,20,23)
InChIKeySHFFOVLMRJGETL-UHFFFAOYSA-N
MW307.36 g/mol
LogP2.75
Rot. Bonds3

About 1,4-dimethyl-N-(6-methyl-2-pyridinyl)-5-pyridin-4-ylpyrazole-3-carboxamide

1,4-dimethyl-N-(6-methyl-2-pyridinyl)-5-pyridin-4-ylpyrazole-3-carboxamide (PubChem CID 71580019) has the molecular formula C17H17N5O and a molecular weight of 307.36 g/mol. Its IUPAC name is 1,4-dimethyl-N-(6-methyl-2-pyridinyl)-5-pyridin-4-ylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1,4-dimethyl-N-(6-methyl-2-pyridinyl)-5-pyridin-4-ylpyrazole-3-carboxamide
PubChem CID71580019
Molecular FormulaC17H17N5O
Molecular Weight307.36 g/mol
Exact Mass307.14
IUPAC Name1,4-dimethyl-N-(6-methyl-2-pyridinyl)-5-pyridin-4-ylpyrazole-3-carboxamide
SMILESCc1cccc(NC(=O)c2nn(C)c(-c3ccncc3)c2C)n1
InChIInChI=1S/C17H17N5O/c1-11-5-4-6-14(19-11)20-17(23)15-12(2)16(22(3)21-15)13-7-9-18-10-8-13/h4-10H,1-3H3,(H,19,20,23)
InChIKeySHFFOVLMRJGETL-UHFFFAOYSA-N
XLogP2.75
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-N-(6-methyl-2-pyridinyl)-5-pyridin-4-ylpyrazole-3-carboxamide?
The IUPAC name of 1,4-dimethyl-N-(6-methyl-2-pyridinyl)-5-pyridin-4-ylpyrazole-3-carboxamide (CID 71580019) is 1,4-dimethyl-N-(6-methyl-2-pyridinyl)-5-pyridin-4-ylpyrazole-3-carboxamide.
What is the SMILES notation for 1,4-dimethyl-N-(6-methyl-2-pyridinyl)-5-pyridin-4-ylpyrazole-3-carboxamide?
The canonical SMILES for 1,4-dimethyl-N-(6-methyl-2-pyridinyl)-5-pyridin-4-ylpyrazole-3-carboxamide is Cc1cccc(NC(=O)c2nn(C)c(-c3ccncc3)c2C)n1.
What is the InChIKey of 1,4-dimethyl-N-(6-methyl-2-pyridinyl)-5-pyridin-4-ylpyrazole-3-carboxamide?
The InChIKey is SHFFOVLMRJGETL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O/c1-11-5-4-6-14(19-11)20-17(23)15-12(2)16(22(3)21-15)13-7-9-18-10-8-13/h4-10H,1-3H3,(H,19,20,23).
What are the key properties of 1,4-dimethyl-N-(6-methyl-2-pyridinyl)-5-pyridin-4-ylpyrazole-3-carboxamide?
1,4-dimethyl-N-(6-methyl-2-pyridinyl)-5-pyridin-4-ylpyrazole-3-carboxamide has a molecular weight of 307.36 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-N-(6-methyl-2-pyridinyl)-5-pyridin-4-ylpyrazole-3-carboxamide is sourced from PubChem (CID 71580019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).