4,5-dimethyl-N-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-1H-pyrazole-3-carboxamide

C13H14N6O — CID 76683721

IUPAC4,5-dimethyl-N-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-1H-pyrazole-3-carboxamide
SMILESCc1cc2ncc(NC(=O)c3n[nH]c(C)c3C)cn2n1
InChIInChI=1S/C13H14N6O/c1-7-4-11-14-5-10(6-19(11)18-7)15-13(20)12-8(2)9(3)16-17-12/h4-6H,1-3H3,(H,15,20)(H,16,17)
InChIKeyYUXNSFLGTYVFDR-UHFFFAOYSA-N
MW270.30 g/mol
LogP1.63
Rot. Bonds2

About 4,5-dimethyl-N-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-1H-pyrazole-3-carboxamide

4,5-dimethyl-N-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-1H-pyrazole-3-carboxamide (PubChem CID 76683721) has the molecular formula C13H14N6O and a molecular weight of 270.30 g/mol. Its IUPAC name is 4,5-dimethyl-N-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4,5-dimethyl-N-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-1H-pyrazole-3-carboxamide
PubChem CID76683721
Molecular FormulaC13H14N6O
Molecular Weight270.30 g/mol
Exact Mass270.12
IUPAC Name4,5-dimethyl-N-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-1H-pyrazole-3-carboxamide
SMILESCc1cc2ncc(NC(=O)c3n[nH]c(C)c3C)cn2n1
InChIInChI=1S/C13H14N6O/c1-7-4-11-14-5-10(6-19(11)18-7)15-13(20)12-8(2)9(3)16-17-12/h4-6H,1-3H3,(H,15,20)(H,16,17)
InChIKeyYUXNSFLGTYVFDR-UHFFFAOYSA-N
XLogP1.63
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-N-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 4,5-dimethyl-N-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-1H-pyrazole-3-carboxamide (CID 76683721) is 4,5-dimethyl-N-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4,5-dimethyl-N-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4,5-dimethyl-N-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-1H-pyrazole-3-carboxamide is Cc1cc2ncc(NC(=O)c3n[nH]c(C)c3C)cn2n1.
What is the InChIKey of 4,5-dimethyl-N-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-1H-pyrazole-3-carboxamide?
The InChIKey is YUXNSFLGTYVFDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6O/c1-7-4-11-14-5-10(6-19(11)18-7)15-13(20)12-8(2)9(3)16-17-12/h4-6H,1-3H3,(H,15,20)(H,16,17).
What are the key properties of 4,5-dimethyl-N-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-1H-pyrazole-3-carboxamide?
4,5-dimethyl-N-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-1H-pyrazole-3-carboxamide has a molecular weight of 270.30 g/mol, XLogP of 1.63, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-N-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 76683721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).