N-(3-tert-butyl-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-2-cyclohexylacetamide

C19H28N4O — CID 68750170

IUPACN-(3-tert-butyl-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-2-cyclohexylacetamide
SMILESCc1cnc2c(C(C)(C)C)c(NC(=O)CC3CCCCC3)nn2c1
InChIInChI=1S/C19H28N4O/c1-13-11-20-18-16(19(2,3)4)17(22-23(18)12-13)21-15(24)10-14-8-6-5-7-9-14/h11-12,14H,5-10H2,1-4H3,(H,21,22,24)
InChIKeyMGSQCSWFPSKGED-UHFFFAOYSA-N
MW328.46 g/mol
LogP4.24
Rot. Bonds3

About N-(3-tert-butyl-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-2-cyclohexylacetamide

N-(3-tert-butyl-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-2-cyclohexylacetamide (PubChem CID 68750170) has the molecular formula C19H28N4O and a molecular weight of 328.46 g/mol. Its IUPAC name is N-(3-tert-butyl-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-2-cyclohexylacetamide.

Molecular Properties

Compound NameN-(3-tert-butyl-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-2-cyclohexylacetamide
PubChem CID68750170
Molecular FormulaC19H28N4O
Molecular Weight328.46 g/mol
Exact Mass328.23
IUPAC NameN-(3-tert-butyl-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-2-cyclohexylacetamide
SMILESCc1cnc2c(C(C)(C)C)c(NC(=O)CC3CCCCC3)nn2c1
InChIInChI=1S/C19H28N4O/c1-13-11-20-18-16(19(2,3)4)17(22-23(18)12-13)21-15(24)10-14-8-6-5-7-9-14/h11-12,14H,5-10H2,1-4H3,(H,21,22,24)
InChIKeyMGSQCSWFPSKGED-UHFFFAOYSA-N
XLogP4.24
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-2-cyclohexylacetamide?
The IUPAC name of N-(3-tert-butyl-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-2-cyclohexylacetamide (CID 68750170) is N-(3-tert-butyl-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-2-cyclohexylacetamide.
What is the SMILES notation for N-(3-tert-butyl-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-2-cyclohexylacetamide?
The canonical SMILES for N-(3-tert-butyl-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-2-cyclohexylacetamide is Cc1cnc2c(C(C)(C)C)c(NC(=O)CC3CCCCC3)nn2c1.
What is the InChIKey of N-(3-tert-butyl-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-2-cyclohexylacetamide?
The InChIKey is MGSQCSWFPSKGED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O/c1-13-11-20-18-16(19(2,3)4)17(22-23(18)12-13)21-15(24)10-14-8-6-5-7-9-14/h11-12,14H,5-10H2,1-4H3,(H,21,22,24).
What are the key properties of N-(3-tert-butyl-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-2-cyclohexylacetamide?
N-(3-tert-butyl-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-2-cyclohexylacetamide has a molecular weight of 328.46 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butyl-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-2-cyclohexylacetamide is sourced from PubChem (CID 68750170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).