7-tert-butyl-N-cyclopentylpyrazolo[1,5-a]pyrimidine-5-carboxamide

C16H22N4O — CID 53040926

IUPAC7-tert-butyl-N-cyclopentylpyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCC(C)(C)c1cc(C(=O)NC2CCCC2)nc2ccnn12
InChIInChI=1S/C16H22N4O/c1-16(2,3)13-10-12(19-14-8-9-17-20(13)14)15(21)18-11-6-4-5-7-11/h8-11H,4-7H2,1-3H3,(H,18,21)
InChIKeyUSHHZIRXDCOWBU-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.70
Rot. Bonds2

About 7-tert-butyl-N-cyclopentylpyrazolo[1,5-a]pyrimidine-5-carboxamide

7-tert-butyl-N-cyclopentylpyrazolo[1,5-a]pyrimidine-5-carboxamide (PubChem CID 53040926) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 7-tert-butyl-N-cyclopentylpyrazolo[1,5-a]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name7-tert-butyl-N-cyclopentylpyrazolo[1,5-a]pyrimidine-5-carboxamide
PubChem CID53040926
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name7-tert-butyl-N-cyclopentylpyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCC(C)(C)c1cc(C(=O)NC2CCCC2)nc2ccnn12
InChIInChI=1S/C16H22N4O/c1-16(2,3)13-10-12(19-14-8-9-17-20(13)14)15(21)18-11-6-4-5-7-11/h8-11H,4-7H2,1-3H3,(H,18,21)
InChIKeyUSHHZIRXDCOWBU-UHFFFAOYSA-N
XLogP2.70
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-N-cyclopentylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
The IUPAC name of 7-tert-butyl-N-cyclopentylpyrazolo[1,5-a]pyrimidine-5-carboxamide (CID 53040926) is 7-tert-butyl-N-cyclopentylpyrazolo[1,5-a]pyrimidine-5-carboxamide.
What is the SMILES notation for 7-tert-butyl-N-cyclopentylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
The canonical SMILES for 7-tert-butyl-N-cyclopentylpyrazolo[1,5-a]pyrimidine-5-carboxamide is CC(C)(C)c1cc(C(=O)NC2CCCC2)nc2ccnn12.
What is the InChIKey of 7-tert-butyl-N-cyclopentylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
The InChIKey is USHHZIRXDCOWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-16(2,3)13-10-12(19-14-8-9-17-20(13)14)15(21)18-11-6-4-5-7-11/h8-11H,4-7H2,1-3H3,(H,18,21).
What are the key properties of 7-tert-butyl-N-cyclopentylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
7-tert-butyl-N-cyclopentylpyrazolo[1,5-a]pyrimidine-5-carboxamide has a molecular weight of 286.38 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-N-cyclopentylpyrazolo[1,5-a]pyrimidine-5-carboxamide is sourced from PubChem (CID 53040926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).