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

C17H21N7O — CID 172892022

IUPAC2-methyl-N-[1-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]pyrazole-3-carboxamide
SMILESCc1cc(N2CCC(NC(=O)c3ccnn3C)CC2)n2nccc2n1
InChIInChI=1S/C17H21N7O/c1-12-11-16(24-15(20-12)4-8-19-24)23-9-5-13(6-10-23)21-17(25)14-3-7-18-22(14)2/h3-4,7-8,11,13H,5-6,9-10H2,1-2H3,(H,21,25)
InChIKeyJNZOBXDGNJTPBL-UHFFFAOYSA-N
MW339.40 g/mol
LogP1.17
Rot. Bonds3

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

2-methyl-N-[1-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]pyrazole-3-carboxamide (PubChem CID 172892022) has the molecular formula C17H21N7O and a molecular weight of 339.40 g/mol. Its IUPAC name is 2-methyl-N-[1-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[1-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]pyrazole-3-carboxamide
PubChem CID172892022
Molecular FormulaC17H21N7O
Molecular Weight339.40 g/mol
Exact Mass339.18
IUPAC Name2-methyl-N-[1-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]pyrazole-3-carboxamide
SMILESCc1cc(N2CCC(NC(=O)c3ccnn3C)CC2)n2nccc2n1
InChIInChI=1S/C17H21N7O/c1-12-11-16(24-15(20-12)4-8-19-24)23-9-5-13(6-10-23)21-17(25)14-3-7-18-22(14)2/h3-4,7-8,11,13H,5-6,9-10H2,1-2H3,(H,21,25)
InChIKeyJNZOBXDGNJTPBL-UHFFFAOYSA-N
XLogP1.17
TPSA80.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]pyrazole-3-carboxamide?
The IUPAC name of 2-methyl-N-[1-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]pyrazole-3-carboxamide (CID 172892022) is 2-methyl-N-[1-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[1-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]pyrazole-3-carboxamide?
The canonical SMILES for 2-methyl-N-[1-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]pyrazole-3-carboxamide is Cc1cc(N2CCC(NC(=O)c3ccnn3C)CC2)n2nccc2n1.
What is the InChIKey of 2-methyl-N-[1-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]pyrazole-3-carboxamide?
The InChIKey is JNZOBXDGNJTPBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7O/c1-12-11-16(24-15(20-12)4-8-19-24)23-9-5-13(6-10-23)21-17(25)14-3-7-18-22(14)2/h3-4,7-8,11,13H,5-6,9-10H2,1-2H3,(H,21,25).
What are the key properties of 2-methyl-N-[1-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]pyrazole-3-carboxamide?
2-methyl-N-[1-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]pyrazole-3-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 172892022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).