[2-(1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone

C17H21N7O — CID 139006138

IUPAC[2-(1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone
SMILESCc1cc(C)n2nc(C(=O)N3CCCC3c3cn(C)nc3C)nc2n1
InChIInChI=1S/C17H21N7O/c1-10-8-11(2)24-17(18-10)19-15(21-24)16(25)23-7-5-6-14(23)13-9-22(4)20-12(13)3/h8-9,14H,5-7H2,1-4H3
InChIKeyAESZMIPWLWYQFA-UHFFFAOYSA-N
MW339.40 g/mol
LogP1.76
Rot. Bonds2

About [2-(1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone

[2-(1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone (PubChem CID 139006138) has the molecular formula C17H21N7O and a molecular weight of 339.40 g/mol. Its IUPAC name is [2-(1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone.

Molecular Properties

Compound Name[2-(1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone
PubChem CID139006138
Molecular FormulaC17H21N7O
Molecular Weight339.40 g/mol
Exact Mass339.18
IUPAC Name[2-(1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone
SMILESCc1cc(C)n2nc(C(=O)N3CCCC3c3cn(C)nc3C)nc2n1
InChIInChI=1S/C17H21N7O/c1-10-8-11(2)24-17(18-10)19-15(21-24)16(25)23-7-5-6-14(23)13-9-22(4)20-12(13)3/h8-9,14H,5-7H2,1-4H3
InChIKeyAESZMIPWLWYQFA-UHFFFAOYSA-N
XLogP1.76
TPSA81.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-(1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone?
The IUPAC name of [2-(1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone (CID 139006138) is [2-(1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone.
What is the SMILES notation for [2-(1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone?
The canonical SMILES for [2-(1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone is Cc1cc(C)n2nc(C(=O)N3CCCC3c3cn(C)nc3C)nc2n1.
What is the InChIKey of [2-(1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone?
The InChIKey is AESZMIPWLWYQFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7O/c1-10-8-11(2)24-17(18-10)19-15(21-24)16(25)23-7-5-6-14(23)13-9-22(4)20-12(13)3/h8-9,14H,5-7H2,1-4H3.
What are the key properties of [2-(1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone?
[2-(1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone has a molecular weight of 339.40 g/mol, XLogP of 1.76, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone is sourced from PubChem (CID 139006138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).