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

C16H22N4O — CID 53040850

IUPACN-cyclohexyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCC(C)c1cc(C(=O)NC2CCCCC2)nc2ccnn12
InChIInChI=1S/C16H22N4O/c1-11(2)14-10-13(19-15-8-9-17-20(14)15)16(21)18-12-6-4-3-5-7-12/h8-12H,3-7H2,1-2H3,(H,18,21)
InChIKeyVQYNVSFQIJGONJ-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.92
Rot. Bonds3

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

N-cyclohexyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide (PubChem CID 53040850) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is N-cyclohexyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide
PubChem CID53040850
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC NameN-cyclohexyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCC(C)c1cc(C(=O)NC2CCCCC2)nc2ccnn12
InChIInChI=1S/C16H22N4O/c1-11(2)14-10-13(19-15-8-9-17-20(14)15)16(21)18-12-6-4-3-5-7-12/h8-12H,3-7H2,1-2H3,(H,18,21)
InChIKeyVQYNVSFQIJGONJ-UHFFFAOYSA-N
XLogP2.92
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
The IUPAC name of N-cyclohexyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide (CID 53040850) is N-cyclohexyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide.
What is the SMILES notation for N-cyclohexyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
The canonical SMILES for N-cyclohexyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide is CC(C)c1cc(C(=O)NC2CCCCC2)nc2ccnn12.
What is the InChIKey of N-cyclohexyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
The InChIKey is VQYNVSFQIJGONJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-11(2)14-10-13(19-15-8-9-17-20(14)15)16(21)18-12-6-4-3-5-7-12/h8-12H,3-7H2,1-2H3,(H,18,21).
What are the key properties of N-cyclohexyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
N-cyclohexyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide has a molecular weight of 286.38 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide is sourced from PubChem (CID 53040850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).