1-benzyl-4-methyl-N-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-4-carboxamide

C20H23N5O — CID 86803093

IUPAC1-benzyl-4-methyl-N-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-4-carboxamide
SMILESCC1(C(=O)Nc2ccnc3ccnn23)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H23N5O/c1-20(9-13-24(14-10-20)15-16-5-3-2-4-6-16)19(26)23-18-7-11-21-17-8-12-22-25(17)18/h2-8,11-12H,9-10,13-15H2,1H3,(H,23,26)
InChIKeyDMKRNLUBBLUBDX-UHFFFAOYSA-N
MW349.44 g/mol
LogP2.97
Rot. Bonds4

About 1-benzyl-4-methyl-N-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-4-carboxamide

1-benzyl-4-methyl-N-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-4-carboxamide (PubChem CID 86803093) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 1-benzyl-4-methyl-N-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-4-methyl-N-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-4-carboxamide
PubChem CID86803093
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name1-benzyl-4-methyl-N-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-4-carboxamide
SMILESCC1(C(=O)Nc2ccnc3ccnn23)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H23N5O/c1-20(9-13-24(14-10-20)15-16-5-3-2-4-6-16)19(26)23-18-7-11-21-17-8-12-22-25(17)18/h2-8,11-12H,9-10,13-15H2,1H3,(H,23,26)
InChIKeyDMKRNLUBBLUBDX-UHFFFAOYSA-N
XLogP2.97
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-methyl-N-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-4-carboxamide?
The IUPAC name of 1-benzyl-4-methyl-N-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-4-carboxamide (CID 86803093) is 1-benzyl-4-methyl-N-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-benzyl-4-methyl-N-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-benzyl-4-methyl-N-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-4-carboxamide is CC1(C(=O)Nc2ccnc3ccnn23)CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-4-methyl-N-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-4-carboxamide?
The InChIKey is DMKRNLUBBLUBDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-20(9-13-24(14-10-20)15-16-5-3-2-4-6-16)19(26)23-18-7-11-21-17-8-12-22-25(17)18/h2-8,11-12H,9-10,13-15H2,1H3,(H,23,26).
What are the key properties of 1-benzyl-4-methyl-N-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-4-carboxamide?
1-benzyl-4-methyl-N-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-4-carboxamide has a molecular weight of 349.44 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-methyl-N-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-4-carboxamide is sourced from PubChem (CID 86803093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).