N-cycloheptyl-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-3-carboxamide

C19H27N5O — CID 134797553

IUPACN-cycloheptyl-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-3-carboxamide
SMILESO=C(NC1CCCCCC1)C1CCCN(c2ccnc3ccnn23)C1
InChIInChI=1S/C19H27N5O/c25-19(22-16-7-3-1-2-4-8-16)15-6-5-13-23(14-15)18-10-11-20-17-9-12-21-24(17)18/h9-12,15-16H,1-8,13-14H2,(H,22,25)
InChIKeyVCMWGDMTUKWAED-UHFFFAOYSA-N
MW341.46 g/mol
LogP2.78
Rot. Bonds3

About N-cycloheptyl-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-3-carboxamide

N-cycloheptyl-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-3-carboxamide (PubChem CID 134797553) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is N-cycloheptyl-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-3-carboxamide
PubChem CID134797553
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC NameN-cycloheptyl-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-3-carboxamide
SMILESO=C(NC1CCCCCC1)C1CCCN(c2ccnc3ccnn23)C1
InChIInChI=1S/C19H27N5O/c25-19(22-16-7-3-1-2-4-8-16)15-6-5-13-23(14-15)18-10-11-20-17-9-12-21-24(17)18/h9-12,15-16H,1-8,13-14H2,(H,22,25)
InChIKeyVCMWGDMTUKWAED-UHFFFAOYSA-N
XLogP2.78
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-3-carboxamide?
The IUPAC name of N-cycloheptyl-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-3-carboxamide (CID 134797553) is N-cycloheptyl-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-3-carboxamide.
What is the SMILES notation for N-cycloheptyl-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-3-carboxamide?
The canonical SMILES for N-cycloheptyl-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-3-carboxamide is O=C(NC1CCCCCC1)C1CCCN(c2ccnc3ccnn23)C1.
What is the InChIKey of N-cycloheptyl-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-3-carboxamide?
The InChIKey is VCMWGDMTUKWAED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O/c25-19(22-16-7-3-1-2-4-8-16)15-6-5-13-23(14-15)18-10-11-20-17-9-12-21-24(17)18/h9-12,15-16H,1-8,13-14H2,(H,22,25).
What are the key properties of N-cycloheptyl-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-3-carboxamide?
N-cycloheptyl-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-3-carboxamide has a molecular weight of 341.46 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-3-carboxamide is sourced from PubChem (CID 134797553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).