2-[4-[6-(dimethylamino)pyrimidin-4-yl]pyrazol-1-yl]-N-(2-methyltriazol-4-yl)acetamide

C14H17N9O — CID 46982778

IUPAC2-[4-[6-(dimethylamino)pyrimidin-4-yl]pyrazol-1-yl]-N-(2-methyltriazol-4-yl)acetamide
SMILESCN(C)c1cc(-c2cnn(CC(=O)Nc3cnn(C)n3)c2)ncn1
InChIInChI=1S/C14H17N9O/c1-21(2)13-4-11(15-9-16-13)10-5-18-23(7-10)8-14(24)19-12-6-17-22(3)20-12/h4-7,9H,8H2,1-3H3,(H,19,20,24)
InChIKeyREICNZRDMULYPA-UHFFFAOYSA-N
MW327.35 g/mol
LogP0.17
Rot. Bonds5

About 2-[4-[6-(dimethylamino)pyrimidin-4-yl]pyrazol-1-yl]-N-(2-methyltriazol-4-yl)acetamide

2-[4-[6-(dimethylamino)pyrimidin-4-yl]pyrazol-1-yl]-N-(2-methyltriazol-4-yl)acetamide (PubChem CID 46982778) has the molecular formula C14H17N9O and a molecular weight of 327.35 g/mol. Its IUPAC name is 2-[4-[6-(dimethylamino)pyrimidin-4-yl]pyrazol-1-yl]-N-(2-methyltriazol-4-yl)acetamide.

Molecular Properties

Compound Name2-[4-[6-(dimethylamino)pyrimidin-4-yl]pyrazol-1-yl]-N-(2-methyltriazol-4-yl)acetamide
PubChem CID46982778
Molecular FormulaC14H17N9O
Molecular Weight327.35 g/mol
Exact Mass327.16
IUPAC Name2-[4-[6-(dimethylamino)pyrimidin-4-yl]pyrazol-1-yl]-N-(2-methyltriazol-4-yl)acetamide
SMILESCN(C)c1cc(-c2cnn(CC(=O)Nc3cnn(C)n3)c2)ncn1
InChIInChI=1S/C14H17N9O/c1-21(2)13-4-11(15-9-16-13)10-5-18-23(7-10)8-14(24)19-12-6-17-22(3)20-12/h4-7,9H,8H2,1-3H3,(H,19,20,24)
InChIKeyREICNZRDMULYPA-UHFFFAOYSA-N
XLogP0.17
TPSA106.65 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.35
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-(2-cyclopentylpyrazol-3-yl)-2-[4-[6-(dimethylamino)pyrimidin-4-yl]pyrazol-1-yl]acetamide
CID 31193410
2-[4-[4-(2-amino-2-oxoethyl)sulfanylphenyl]pyrazol-1-yl]-N-(2-methyltriazol-4-yl)acetamide
CID 29029168
2-[4-(3-methoxypyrazin-2-yl)pyrazol-1-yl]-N-(2-propyltriazol-4-yl)acetamide
CID 30920795
N-(2-propan-2-yltriazol-4-yl)-2-[4-(7H-purin-6-yl)pyrazol-1-yl]acetamide
CID 46997037
2-[4-(6-methylpyrimidin-4-yl)pyrazol-1-yl]-N-(5-pyrazin-2-yl-3,4-dihydropyridin-2-yl)acetamide
CID 139308150
2-[4-(2-amino-6-methylpyrimidin-4-yl)pyrazol-1-yl]-N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 46985324
N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-2-(4-pyrimidin-2-ylpyrazol-1-yl)acetamide
CID 46995367
N-(2-propyltriazol-4-yl)-2-(triazol-1-yl)acetamide
CID 28766650
2-[4-(1-methyl-1,2-diaza-3-azanidacyclopent-4-en-4-yl)pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
CID 163513162
N-(2-methyltriazol-4-yl)-2-[3-[2-(trifluoromethyl)phenyl]pyrazol-1-yl]acetamide
CID 46996351
2-[4-(2-aminopyrimidin-4-yl)pyrazol-1-yl]-N-(1-benzylpyrazol-3-yl)acetamide
CID 46995755
2-[4-(dimethylcarbamoylamino)triazol-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 112524804

Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-(dimethylamino)pyrimidin-4-yl]pyrazol-1-yl]-N-(2-methyltriazol-4-yl)acetamide?
The IUPAC name of 2-[4-[6-(dimethylamino)pyrimidin-4-yl]pyrazol-1-yl]-N-(2-methyltriazol-4-yl)acetamide (CID 46982778) is 2-[4-[6-(dimethylamino)pyrimidin-4-yl]pyrazol-1-yl]-N-(2-methyltriazol-4-yl)acetamide.
What is the SMILES notation for 2-[4-[6-(dimethylamino)pyrimidin-4-yl]pyrazol-1-yl]-N-(2-methyltriazol-4-yl)acetamide?
The canonical SMILES for 2-[4-[6-(dimethylamino)pyrimidin-4-yl]pyrazol-1-yl]-N-(2-methyltriazol-4-yl)acetamide is CN(C)c1cc(-c2cnn(CC(=O)Nc3cnn(C)n3)c2)ncn1.
What is the InChIKey of 2-[4-[6-(dimethylamino)pyrimidin-4-yl]pyrazol-1-yl]-N-(2-methyltriazol-4-yl)acetamide?
The InChIKey is REICNZRDMULYPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N9O/c1-21(2)13-4-11(15-9-16-13)10-5-18-23(7-10)8-14(24)19-12-6-17-22(3)20-12/h4-7,9H,8H2,1-3H3,(H,19,20,24).
What are the key properties of 2-[4-[6-(dimethylamino)pyrimidin-4-yl]pyrazol-1-yl]-N-(2-methyltriazol-4-yl)acetamide?
2-[4-[6-(dimethylamino)pyrimidin-4-yl]pyrazol-1-yl]-N-(2-methyltriazol-4-yl)acetamide has a molecular weight of 327.35 g/mol, XLogP of 0.17, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-(dimethylamino)pyrimidin-4-yl]pyrazol-1-yl]-N-(2-methyltriazol-4-yl)acetamide is sourced from PubChem (CID 46982778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).