6-(3,5-dimethyl-1H-pyrazol-4-yl)-N,N-dimethylpyridine-2-carboxamide

C13H16N4O — CID 77097135

IUPAC6-(3,5-dimethyl-1H-pyrazol-4-yl)-N,N-dimethylpyridine-2-carboxamide
SMILESCc1n[nH]c(C)c1-c1cccc(C(=O)N(C)C)n1
InChIInChI=1S/C13H16N4O/c1-8-12(9(2)16-15-8)10-6-5-7-11(14-10)13(18)17(3)4/h5-7H,1-4H3,(H,15,16)
InChIKeyUSOSUDXFKGTFAZ-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.79
Rot. Bonds2

About 6-(3,5-dimethyl-1H-pyrazol-4-yl)-N,N-dimethylpyridine-2-carboxamide

6-(3,5-dimethyl-1H-pyrazol-4-yl)-N,N-dimethylpyridine-2-carboxamide (PubChem CID 77097135) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 6-(3,5-dimethyl-1H-pyrazol-4-yl)-N,N-dimethylpyridine-2-carboxamide.

Molecular Properties

Compound Name6-(3,5-dimethyl-1H-pyrazol-4-yl)-N,N-dimethylpyridine-2-carboxamide
PubChem CID77097135
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name6-(3,5-dimethyl-1H-pyrazol-4-yl)-N,N-dimethylpyridine-2-carboxamide
SMILESCc1n[nH]c(C)c1-c1cccc(C(=O)N(C)C)n1
InChIInChI=1S/C13H16N4O/c1-8-12(9(2)16-15-8)10-6-5-7-11(14-10)13(18)17(3)4/h5-7H,1-4H3,(H,15,16)
InChIKeyUSOSUDXFKGTFAZ-UHFFFAOYSA-N
XLogP1.79
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-((E,2E)-2-Methyl-3-phenyl-2-propenylidene)-3-(1-methyl-1H-pyrrol-2-YL)-1H-pyrazole-5-carbohydrazide
CID 6869472
3-Ethyl-4-methyl-N'-(4-pyridinylmethylene)-1H-pyrazole-5-carbohydrazide
CID 6872295
N-methyl-3-phenyl-1H-pyrazole-5-carboxamide
CID 18870913
US10022354, Example 5
CID 121279569
N,N-dimethyl-4-(4-phenyl-1H-pyrazol-3-yl)-1H-pyrrole-2-carboxamide
CID 1473242
US10022354, Example 2
CID 95834606
US10022354, Example 1
CID 95834607
US10022354, Example 78
CID 110264830
US10022354, Example 46
CID 121279427
US10022354, Example 47
CID 121279428
US10022354, Example 71
CID 121279677
US10022354, Example 45
CID 121279684

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethyl-1H-pyrazol-4-yl)-N,N-dimethylpyridine-2-carboxamide?
The IUPAC name of 6-(3,5-dimethyl-1H-pyrazol-4-yl)-N,N-dimethylpyridine-2-carboxamide (CID 77097135) is 6-(3,5-dimethyl-1H-pyrazol-4-yl)-N,N-dimethylpyridine-2-carboxamide.
What is the SMILES notation for 6-(3,5-dimethyl-1H-pyrazol-4-yl)-N,N-dimethylpyridine-2-carboxamide?
The canonical SMILES for 6-(3,5-dimethyl-1H-pyrazol-4-yl)-N,N-dimethylpyridine-2-carboxamide is Cc1n[nH]c(C)c1-c1cccc(C(=O)N(C)C)n1.
What is the InChIKey of 6-(3,5-dimethyl-1H-pyrazol-4-yl)-N,N-dimethylpyridine-2-carboxamide?
The InChIKey is USOSUDXFKGTFAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-8-12(9(2)16-15-8)10-6-5-7-11(14-10)13(18)17(3)4/h5-7H,1-4H3,(H,15,16).
What are the key properties of 6-(3,5-dimethyl-1H-pyrazol-4-yl)-N,N-dimethylpyridine-2-carboxamide?
6-(3,5-dimethyl-1H-pyrazol-4-yl)-N,N-dimethylpyridine-2-carboxamide has a molecular weight of 244.30 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethyl-1H-pyrazol-4-yl)-N,N-dimethylpyridine-2-carboxamide is sourced from PubChem (CID 77097135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).