1,3,5-trimethyl-N-pyrazolo[1,5-a]pyrimidin-6-ylpyrazole-4-carboxamide

C13H14N6O — CID 91629147

IUPAC1,3,5-trimethyl-N-pyrazolo[1,5-a]pyrimidin-6-ylpyrazole-4-carboxamide
SMILESCc1nn(C)c(C)c1C(=O)Nc1cnc2ccnn2c1
InChIInChI=1S/C13H14N6O/c1-8-12(9(2)18(3)17-8)13(20)16-10-6-14-11-4-5-15-19(11)7-10/h4-7H,1-3H3,(H,16,20)
InChIKeyGFYATEBKYYQQFC-UHFFFAOYSA-N
MW270.30 g/mol
LogP1.33
Rot. Bonds2

About 1,3,5-trimethyl-N-pyrazolo[1,5-a]pyrimidin-6-ylpyrazole-4-carboxamide

1,3,5-trimethyl-N-pyrazolo[1,5-a]pyrimidin-6-ylpyrazole-4-carboxamide (PubChem CID 91629147) has the molecular formula C13H14N6O and a molecular weight of 270.30 g/mol. Its IUPAC name is 1,3,5-trimethyl-N-pyrazolo[1,5-a]pyrimidin-6-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1,3,5-trimethyl-N-pyrazolo[1,5-a]pyrimidin-6-ylpyrazole-4-carboxamide
PubChem CID91629147
Molecular FormulaC13H14N6O
Molecular Weight270.30 g/mol
Exact Mass270.12
IUPAC Name1,3,5-trimethyl-N-pyrazolo[1,5-a]pyrimidin-6-ylpyrazole-4-carboxamide
SMILESCc1nn(C)c(C)c1C(=O)Nc1cnc2ccnn2c1
InChIInChI=1S/C13H14N6O/c1-8-12(9(2)18(3)17-8)13(20)16-10-6-14-11-4-5-15-19(11)7-10/h4-7H,1-3H3,(H,16,20)
InChIKeyGFYATEBKYYQQFC-UHFFFAOYSA-N
XLogP1.33
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-N-pyrazolo[1,5-a]pyrimidin-6-ylpyrazole-4-carboxamide?
The IUPAC name of 1,3,5-trimethyl-N-pyrazolo[1,5-a]pyrimidin-6-ylpyrazole-4-carboxamide (CID 91629147) is 1,3,5-trimethyl-N-pyrazolo[1,5-a]pyrimidin-6-ylpyrazole-4-carboxamide.
What is the SMILES notation for 1,3,5-trimethyl-N-pyrazolo[1,5-a]pyrimidin-6-ylpyrazole-4-carboxamide?
The canonical SMILES for 1,3,5-trimethyl-N-pyrazolo[1,5-a]pyrimidin-6-ylpyrazole-4-carboxamide is Cc1nn(C)c(C)c1C(=O)Nc1cnc2ccnn2c1.
What is the InChIKey of 1,3,5-trimethyl-N-pyrazolo[1,5-a]pyrimidin-6-ylpyrazole-4-carboxamide?
The InChIKey is GFYATEBKYYQQFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6O/c1-8-12(9(2)18(3)17-8)13(20)16-10-6-14-11-4-5-15-19(11)7-10/h4-7H,1-3H3,(H,16,20).
What are the key properties of 1,3,5-trimethyl-N-pyrazolo[1,5-a]pyrimidin-6-ylpyrazole-4-carboxamide?
1,3,5-trimethyl-N-pyrazolo[1,5-a]pyrimidin-6-ylpyrazole-4-carboxamide has a molecular weight of 270.30 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-N-pyrazolo[1,5-a]pyrimidin-6-ylpyrazole-4-carboxamide is sourced from PubChem (CID 91629147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).