N-(4-cyclohexylphenyl)-4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxobutanamide

C23H30N4O2 — CID 118165652

IUPACN-(4-cyclohexylphenyl)-4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxobutanamide
SMILESCc1cc2n(n1)CCCN2C(=O)CCC(=O)Nc1ccc(C2CCCCC2)cc1
InChIInChI=1S/C23H30N4O2/c1-17-16-22-26(14-5-15-27(22)25-17)23(29)13-12-21(28)24-20-10-8-19(9-11-20)18-6-3-2-4-7-18/h8-11,16,18H,2-7,12-15H2,1H3,(H,24,28)
InChIKeyIFOVTASXRRTDKN-UHFFFAOYSA-N
MW394.52 g/mol
LogP4.39
Rot. Bonds5

About N-(4-cyclohexylphenyl)-4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxobutanamide

N-(4-cyclohexylphenyl)-4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxobutanamide (PubChem CID 118165652) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is N-(4-cyclohexylphenyl)-4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxobutanamide.

Molecular Properties

Compound NameN-(4-cyclohexylphenyl)-4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxobutanamide
PubChem CID118165652
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC NameN-(4-cyclohexylphenyl)-4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxobutanamide
SMILESCc1cc2n(n1)CCCN2C(=O)CCC(=O)Nc1ccc(C2CCCCC2)cc1
InChIInChI=1S/C23H30N4O2/c1-17-16-22-26(14-5-15-27(22)25-17)23(29)13-12-21(28)24-20-10-8-19(9-11-20)18-6-3-2-4-7-18/h8-11,16,18H,2-7,12-15H2,1H3,(H,24,28)
InChIKeyIFOVTASXRRTDKN-UHFFFAOYSA-N
XLogP4.39
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2-methoxyphenyl)phenyl]-4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxobutanamide
CID 118165762
N-[4-(3-fluorophenyl)phenyl]-4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxobutanamide
CID 118165508
4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxo-N-(4-pyridazin-3-ylphenyl)butanamide
CID 118165405
ethane;methane;N-methyl-4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxobutanamide
CID 144869267
4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-N-[4-(3-morpholin-4-ylphenyl)phenyl]-4-oxobutanamide
CID 118165493
N-(3-methylbutyl)-4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxobutanamide
CID 46282395
4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxo-N-(2-phenylethyl)butanamide
CID 46282397
N-[6-(4-chlorophenyl)pyridazin-3-yl]-4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxobutanamide
CID 118165416
5-(1-benzylpiperidin-4-yl)-1-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)pentane-1,4-dione
CID 159946101
N-(4-cyclohexylphenyl)-2-(2-pyrrolidin-1-ylethylamino)acetamide
CID 22448118
N-(4-cyclohexylphenyl)-2-(2,2-dimethoxyethylamino)acetamide
CID 22447984
N-(4-cyclohexylphenyl)-2-(4-hydroxybutylamino)acetamide
CID 22448148

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclohexylphenyl)-4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxobutanamide?
The IUPAC name of N-(4-cyclohexylphenyl)-4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxobutanamide (CID 118165652) is N-(4-cyclohexylphenyl)-4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxobutanamide.
What is the SMILES notation for N-(4-cyclohexylphenyl)-4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxobutanamide?
The canonical SMILES for N-(4-cyclohexylphenyl)-4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxobutanamide is Cc1cc2n(n1)CCCN2C(=O)CCC(=O)Nc1ccc(C2CCCCC2)cc1.
What is the InChIKey of N-(4-cyclohexylphenyl)-4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxobutanamide?
The InChIKey is IFOVTASXRRTDKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2/c1-17-16-22-26(14-5-15-27(22)25-17)23(29)13-12-21(28)24-20-10-8-19(9-11-20)18-6-3-2-4-7-18/h8-11,16,18H,2-7,12-15H2,1H3,(H,24,28).
What are the key properties of N-(4-cyclohexylphenyl)-4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxobutanamide?
N-(4-cyclohexylphenyl)-4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxobutanamide has a molecular weight of 394.52 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclohexylphenyl)-4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxobutanamide is sourced from PubChem (CID 118165652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).