N-cycloheptyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide

C17H24N4O — CID 53040849

IUPACN-cycloheptyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCC(C)c1cc(C(=O)NC2CCCCCC2)nc2ccnn12
InChIInChI=1S/C17H24N4O/c1-12(2)15-11-14(20-16-9-10-18-21(15)16)17(22)19-13-7-5-3-4-6-8-13/h9-13H,3-8H2,1-2H3,(H,19,22)
InChIKeyXOFQHGMMRQJRGL-UHFFFAOYSA-N
MW300.41 g/mol
LogP3.31
Rot. Bonds3

About N-cycloheptyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide

N-cycloheptyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide (PubChem CID 53040849) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is N-cycloheptyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide
PubChem CID53040849
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC NameN-cycloheptyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCC(C)c1cc(C(=O)NC2CCCCCC2)nc2ccnn12
InChIInChI=1S/C17H24N4O/c1-12(2)15-11-14(20-16-9-10-18-21(15)16)17(22)19-13-7-5-3-4-6-8-13/h9-13H,3-8H2,1-2H3,(H,19,22)
InChIKeyXOFQHGMMRQJRGL-UHFFFAOYSA-N
XLogP3.31
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
The IUPAC name of N-cycloheptyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide (CID 53040849) is N-cycloheptyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide.
What is the SMILES notation for N-cycloheptyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
The canonical SMILES for N-cycloheptyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide is CC(C)c1cc(C(=O)NC2CCCCCC2)nc2ccnn12.
What is the InChIKey of N-cycloheptyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
The InChIKey is XOFQHGMMRQJRGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-12(2)15-11-14(20-16-9-10-18-21(15)16)17(22)19-13-7-5-3-4-6-8-13/h9-13H,3-8H2,1-2H3,(H,19,22).
What are the key properties of N-cycloheptyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
N-cycloheptyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide has a molecular weight of 300.41 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide is sourced from PubChem (CID 53040849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).