N-[[1-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methyl]acetamide

C17H25N5O — CID 56916291

IUPACN-[[1-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1CCN(c2cc(C(C)C)nc3ccnn23)CC1
InChIInChI=1S/C17H25N5O/c1-12(2)15-10-17(22-16(20-15)4-7-19-22)21-8-5-14(6-9-21)11-18-13(3)23/h4,7,10,12,14H,5-6,8-9,11H2,1-3H3,(H,18,23)
InChIKeyBDFPQFHKPYVELY-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.21
Rot. Bonds4

About N-[[1-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methyl]acetamide

N-[[1-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methyl]acetamide (PubChem CID 56916291) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is N-[[1-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[1-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methyl]acetamide
PubChem CID56916291
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC NameN-[[1-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1CCN(c2cc(C(C)C)nc3ccnn23)CC1
InChIInChI=1S/C17H25N5O/c1-12(2)15-10-17(22-16(20-15)4-7-19-22)21-8-5-14(6-9-21)11-18-13(3)23/h4,7,10,12,14H,5-6,8-9,11H2,1-3H3,(H,18,23)
InChIKeyBDFPQFHKPYVELY-UHFFFAOYSA-N
XLogP2.21
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[1-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[1-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methyl]acetamide?
The IUPAC name of N-[[1-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methyl]acetamide (CID 56916291) is N-[[1-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for N-[[1-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methyl]acetamide?
The canonical SMILES for N-[[1-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methyl]acetamide is CC(=O)NCC1CCN(c2cc(C(C)C)nc3ccnn23)CC1.
What is the InChIKey of N-[[1-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methyl]acetamide?
The InChIKey is BDFPQFHKPYVELY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O/c1-12(2)15-10-17(22-16(20-15)4-7-19-22)21-8-5-14(6-9-21)11-18-13(3)23/h4,7,10,12,14H,5-6,8-9,11H2,1-3H3,(H,18,23).
What are the key properties of N-[[1-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methyl]acetamide?
N-[[1-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methyl]acetamide has a molecular weight of 315.42 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 56916291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).