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

C17H24N4O — CID 53040912

IUPAC7-tert-butyl-N-cyclohexylpyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCC(C)(C)c1cc(C(=O)NC2CCCCC2)nc2ccnn12
InChIInChI=1S/C17H24N4O/c1-17(2,3)14-11-13(20-15-9-10-18-21(14)15)16(22)19-12-7-5-4-6-8-12/h9-12H,4-8H2,1-3H3,(H,19,22)
InChIKeyOADQHRIKCJSQMV-UHFFFAOYSA-N
MW300.41 g/mol
LogP3.09
Rot. Bonds2

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

7-tert-butyl-N-cyclohexylpyrazolo[1,5-a]pyrimidine-5-carboxamide (PubChem CID 53040912) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 7-tert-butyl-N-cyclohexylpyrazolo[1,5-a]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name7-tert-butyl-N-cyclohexylpyrazolo[1,5-a]pyrimidine-5-carboxamide
PubChem CID53040912
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name7-tert-butyl-N-cyclohexylpyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCC(C)(C)c1cc(C(=O)NC2CCCCC2)nc2ccnn12
InChIInChI=1S/C17H24N4O/c1-17(2,3)14-11-13(20-15-9-10-18-21(14)15)16(22)19-12-7-5-4-6-8-12/h9-12H,4-8H2,1-3H3,(H,19,22)
InChIKeyOADQHRIKCJSQMV-UHFFFAOYSA-N
XLogP3.09
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 53.09
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-cyclohexylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
The IUPAC name of 7-tert-butyl-N-cyclohexylpyrazolo[1,5-a]pyrimidine-5-carboxamide (CID 53040912) is 7-tert-butyl-N-cyclohexylpyrazolo[1,5-a]pyrimidine-5-carboxamide.
What is the SMILES notation for 7-tert-butyl-N-cyclohexylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
The canonical SMILES for 7-tert-butyl-N-cyclohexylpyrazolo[1,5-a]pyrimidine-5-carboxamide is CC(C)(C)c1cc(C(=O)NC2CCCCC2)nc2ccnn12.
What is the InChIKey of 7-tert-butyl-N-cyclohexylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
The InChIKey is OADQHRIKCJSQMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-17(2,3)14-11-13(20-15-9-10-18-21(14)15)16(22)19-12-7-5-4-6-8-12/h9-12H,4-8H2,1-3H3,(H,19,22).
What are the key properties of 7-tert-butyl-N-cyclohexylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
7-tert-butyl-N-cyclohexylpyrazolo[1,5-a]pyrimidine-5-carboxamide has a molecular weight of 300.41 g/mol, XLogP of 3.09, 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-cyclohexylpyrazolo[1,5-a]pyrimidine-5-carboxamide is sourced from PubChem (CID 53040912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).