1-methyl-N-(1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-4-yl)pyrazole-4-carboxamide

C16H19N7O — CID 171996296

IUPAC1-methyl-N-(1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-4-yl)pyrazole-4-carboxamide
SMILESCn1cc(C(=O)NC2CCN(c3ccn4nccc4n3)CC2)cn1
InChIInChI=1S/C16H19N7O/c1-21-11-12(10-18-21)16(24)19-13-3-7-22(8-4-13)14-5-9-23-15(20-14)2-6-17-23/h2,5-6,9-11,13H,3-4,7-8H2,1H3,(H,19,24)
InChIKeyWMTZNABFSGQOHQ-UHFFFAOYSA-N
MW325.38 g/mol
LogP0.86
Rot. Bonds3

About 1-methyl-N-(1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-4-yl)pyrazole-4-carboxamide

1-methyl-N-(1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-4-yl)pyrazole-4-carboxamide (PubChem CID 171996296) has the molecular formula C16H19N7O and a molecular weight of 325.38 g/mol. Its IUPAC name is 1-methyl-N-(1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-4-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-4-yl)pyrazole-4-carboxamide
PubChem CID171996296
Molecular FormulaC16H19N7O
Molecular Weight325.38 g/mol
Exact Mass325.17
IUPAC Name1-methyl-N-(1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-4-yl)pyrazole-4-carboxamide
SMILESCn1cc(C(=O)NC2CCN(c3ccn4nccc4n3)CC2)cn1
InChIInChI=1S/C16H19N7O/c1-21-11-12(10-18-21)16(24)19-13-3-7-22(8-4-13)14-5-9-23-15(20-14)2-6-17-23/h2,5-6,9-11,13H,3-4,7-8H2,1H3,(H,19,24)
InChIKeyWMTZNABFSGQOHQ-UHFFFAOYSA-N
XLogP0.86
TPSA80.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.38
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-4-yl)pyrazole-4-carboxamide?
The IUPAC name of 1-methyl-N-(1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-4-yl)pyrazole-4-carboxamide (CID 171996296) is 1-methyl-N-(1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-4-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-(1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-4-yl)pyrazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-(1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-4-yl)pyrazole-4-carboxamide is Cn1cc(C(=O)NC2CCN(c3ccn4nccc4n3)CC2)cn1.
What is the InChIKey of 1-methyl-N-(1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-4-yl)pyrazole-4-carboxamide?
The InChIKey is WMTZNABFSGQOHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N7O/c1-21-11-12(10-18-21)16(24)19-13-3-7-22(8-4-13)14-5-9-23-15(20-14)2-6-17-23/h2,5-6,9-11,13H,3-4,7-8H2,1H3,(H,19,24).
What are the key properties of 1-methyl-N-(1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-4-yl)pyrazole-4-carboxamide?
1-methyl-N-(1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-4-yl)pyrazole-4-carboxamide has a molecular weight of 325.38 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-4-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 171996296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).