1-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N,N-dimethylpyrazole-3-carboxamide

C11H10ClN7O — CID 102919261

IUPAC1-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N,N-dimethylpyrazole-3-carboxamide
SMILESCN(C)C(=O)c1ccn(-c2cc(Cl)nc3ncnn23)n1
InChIInChI=1S/C11H10ClN7O/c1-17(2)10(20)7-3-4-18(16-7)9-5-8(12)15-11-13-6-14-19(9)11/h3-6H,1-2H3
InChIKeyMCJQZDQOPRFNFD-UHFFFAOYSA-N
MW291.70 g/mol
LogP0.67
Rot. Bonds2

About 1-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N,N-dimethylpyrazole-3-carboxamide

1-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N,N-dimethylpyrazole-3-carboxamide (PubChem CID 102919261) has the molecular formula C11H10ClN7O and a molecular weight of 291.70 g/mol. Its IUPAC name is 1-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N,N-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N,N-dimethylpyrazole-3-carboxamide
PubChem CID102919261
Molecular FormulaC11H10ClN7O
Molecular Weight291.70 g/mol
Exact Mass291.06
IUPAC Name1-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N,N-dimethylpyrazole-3-carboxamide
SMILESCN(C)C(=O)c1ccn(-c2cc(Cl)nc3ncnn23)n1
InChIInChI=1S/C11H10ClN7O/c1-17(2)10(20)7-3-4-18(16-7)9-5-8(12)15-11-13-6-14-19(9)11/h3-6H,1-2H3
InChIKeyMCJQZDQOPRFNFD-UHFFFAOYSA-N
XLogP0.67
TPSA81.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.70
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-N,N-dimethylpyrazole-3-carboxamide
CID 102716274
1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-N,N-dimethylpyrazole-3-carboxamide
CID 106768586
1-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrazole-4-carboxamide
CID 102919262
2-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-ethylamino]-N,N-dimethylacetamide
CID 102918554
ethyl 1-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrazole-4-carboxylate
CID 102919264
5-chloro-7-(2,4-dimethylpyrrolidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 102919199
N-[[1-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methyl]acetamide
CID 102919228
1-(4-acetylphenyl)-N,N-dimethylpyrazole-3-carboxamide
CID 64781535
5-chloro-7-(4-phenylpyrazol-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 102919256
7-(azepan-1-yl)-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 102918340
1-(7-aminoquinazolin-4-yl)-N,N-dimethylpyrazole-3-carboxamide
CID 65336223
3-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-methylamino]-N-methylpropanamide
CID 106917443

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N,N-dimethylpyrazole-3-carboxamide?
The IUPAC name of 1-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N,N-dimethylpyrazole-3-carboxamide (CID 102919261) is 1-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N,N-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for 1-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N,N-dimethylpyrazole-3-carboxamide?
The canonical SMILES for 1-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N,N-dimethylpyrazole-3-carboxamide is CN(C)C(=O)c1ccn(-c2cc(Cl)nc3ncnn23)n1.
What is the InChIKey of 1-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N,N-dimethylpyrazole-3-carboxamide?
The InChIKey is MCJQZDQOPRFNFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN7O/c1-17(2)10(20)7-3-4-18(16-7)9-5-8(12)15-11-13-6-14-19(9)11/h3-6H,1-2H3.
What are the key properties of 1-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N,N-dimethylpyrazole-3-carboxamide?
1-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N,N-dimethylpyrazole-3-carboxamide has a molecular weight of 291.70 g/mol, XLogP of 0.67, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N,N-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 102919261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).