N-(3-tert-butylpyrazolo[1,5-a]pyrimidin-2-yl)-3-cyclohexylpropanamide

C19H28N4O — CID 68748385

IUPACN-(3-tert-butylpyrazolo[1,5-a]pyrimidin-2-yl)-3-cyclohexylpropanamide
SMILESCC(C)(C)c1c(NC(=O)CCC2CCCCC2)nn2cccnc12
InChIInChI=1S/C19H28N4O/c1-19(2,3)16-17(22-23-13-7-12-20-18(16)23)21-15(24)11-10-14-8-5-4-6-9-14/h7,12-14H,4-6,8-11H2,1-3H3,(H,21,22,24)
InChIKeyBSKABSNFNZWAJF-UHFFFAOYSA-N
MW328.46 g/mol
LogP4.33
Rot. Bonds4

About N-(3-tert-butylpyrazolo[1,5-a]pyrimidin-2-yl)-3-cyclohexylpropanamide

N-(3-tert-butylpyrazolo[1,5-a]pyrimidin-2-yl)-3-cyclohexylpropanamide (PubChem CID 68748385) has the molecular formula C19H28N4O and a molecular weight of 328.46 g/mol. Its IUPAC name is N-(3-tert-butylpyrazolo[1,5-a]pyrimidin-2-yl)-3-cyclohexylpropanamide.

Molecular Properties

Compound NameN-(3-tert-butylpyrazolo[1,5-a]pyrimidin-2-yl)-3-cyclohexylpropanamide
PubChem CID68748385
Molecular FormulaC19H28N4O
Molecular Weight328.46 g/mol
Exact Mass328.23
IUPAC NameN-(3-tert-butylpyrazolo[1,5-a]pyrimidin-2-yl)-3-cyclohexylpropanamide
SMILESCC(C)(C)c1c(NC(=O)CCC2CCCCC2)nn2cccnc12
InChIInChI=1S/C19H28N4O/c1-19(2,3)16-17(22-23-13-7-12-20-18(16)23)21-15(24)11-10-14-8-5-4-6-9-14/h7,12-14H,4-6,8-11H2,1-3H3,(H,21,22,24)
InChIKeyBSKABSNFNZWAJF-UHFFFAOYSA-N
XLogP4.33
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butylpyrazolo[1,5-a]pyrimidin-2-yl)-3-cyclohexylpropanamide?
The IUPAC name of N-(3-tert-butylpyrazolo[1,5-a]pyrimidin-2-yl)-3-cyclohexylpropanamide (CID 68748385) is N-(3-tert-butylpyrazolo[1,5-a]pyrimidin-2-yl)-3-cyclohexylpropanamide.
What is the SMILES notation for N-(3-tert-butylpyrazolo[1,5-a]pyrimidin-2-yl)-3-cyclohexylpropanamide?
The canonical SMILES for N-(3-tert-butylpyrazolo[1,5-a]pyrimidin-2-yl)-3-cyclohexylpropanamide is CC(C)(C)c1c(NC(=O)CCC2CCCCC2)nn2cccnc12.
What is the InChIKey of N-(3-tert-butylpyrazolo[1,5-a]pyrimidin-2-yl)-3-cyclohexylpropanamide?
The InChIKey is BSKABSNFNZWAJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O/c1-19(2,3)16-17(22-23-13-7-12-20-18(16)23)21-15(24)11-10-14-8-5-4-6-9-14/h7,12-14H,4-6,8-11H2,1-3H3,(H,21,22,24).
What are the key properties of N-(3-tert-butylpyrazolo[1,5-a]pyrimidin-2-yl)-3-cyclohexylpropanamide?
N-(3-tert-butylpyrazolo[1,5-a]pyrimidin-2-yl)-3-cyclohexylpropanamide has a molecular weight of 328.46 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butylpyrazolo[1,5-a]pyrimidin-2-yl)-3-cyclohexylpropanamide is sourced from PubChem (CID 68748385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).