3-(difluoromethyl)-1-methyl-N-(7-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)pyrazole-5-carboxamide

C12H11F2N7O — CID 134709498

IUPAC3-(difluoromethyl)-1-methyl-N-(7-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)pyrazole-5-carboxamide
SMILESCc1ccn2c(NC(=O)c3cc(C(F)F)nn3C)nnc2n1
InChIInChI=1S/C12H11F2N7O/c1-6-3-4-21-11(15-6)17-18-12(21)16-10(22)8-5-7(9(13)14)19-20(8)2/h3-5,9H,1-2H3,(H,16,18,22)
InChIKeyNZSAIIHAFVINHD-UHFFFAOYSA-N
MW307.26 g/mol
LogP1.36
Rot. Bonds3

About 3-(difluoromethyl)-1-methyl-N-(7-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)pyrazole-5-carboxamide

3-(difluoromethyl)-1-methyl-N-(7-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)pyrazole-5-carboxamide (PubChem CID 134709498) has the molecular formula C12H11F2N7O and a molecular weight of 307.26 g/mol. Its IUPAC name is 3-(difluoromethyl)-1-methyl-N-(7-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(difluoromethyl)-1-methyl-N-(7-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)pyrazole-5-carboxamide
PubChem CID134709498
Molecular FormulaC12H11F2N7O
Molecular Weight307.26 g/mol
Exact Mass307.10
IUPAC Name3-(difluoromethyl)-1-methyl-N-(7-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)pyrazole-5-carboxamide
SMILESCc1ccn2c(NC(=O)c3cc(C(F)F)nn3C)nnc2n1
InChIInChI=1S/C12H11F2N7O/c1-6-3-4-21-11(15-6)17-18-12(21)16-10(22)8-5-7(9(13)14)19-20(8)2/h3-5,9H,1-2H3,(H,16,18,22)
InChIKeyNZSAIIHAFVINHD-UHFFFAOYSA-N
XLogP1.36
TPSA90.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.26
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-1-methyl-N-(7-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)pyrazole-5-carboxamide?
The IUPAC name of 3-(difluoromethyl)-1-methyl-N-(7-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)pyrazole-5-carboxamide (CID 134709498) is 3-(difluoromethyl)-1-methyl-N-(7-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)pyrazole-5-carboxamide.
What is the SMILES notation for 3-(difluoromethyl)-1-methyl-N-(7-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)pyrazole-5-carboxamide?
The canonical SMILES for 3-(difluoromethyl)-1-methyl-N-(7-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)pyrazole-5-carboxamide is Cc1ccn2c(NC(=O)c3cc(C(F)F)nn3C)nnc2n1.
What is the InChIKey of 3-(difluoromethyl)-1-methyl-N-(7-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)pyrazole-5-carboxamide?
The InChIKey is NZSAIIHAFVINHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2N7O/c1-6-3-4-21-11(15-6)17-18-12(21)16-10(22)8-5-7(9(13)14)19-20(8)2/h3-5,9H,1-2H3,(H,16,18,22).
What are the key properties of 3-(difluoromethyl)-1-methyl-N-(7-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)pyrazole-5-carboxamide?
3-(difluoromethyl)-1-methyl-N-(7-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)pyrazole-5-carboxamide has a molecular weight of 307.26 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-1-methyl-N-(7-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)pyrazole-5-carboxamide is sourced from PubChem (CID 134709498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).