6-[2-[(2S)-2-cyclohexylpyrrolidin-1-yl]-2-oxoethyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C19H26N4O2 — CID 95288914

IUPAC6-[2-[(2S)-2-cyclohexylpyrrolidin-1-yl]-2-oxoethyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2cc[nH]n2c(=O)c1CC(=O)N1CCC[C@H]1C1CCCCC1
InChIInChI=1S/C19H26N4O2/c1-13-15(19(25)23-17(21-13)9-10-20-23)12-18(24)22-11-5-8-16(22)14-6-3-2-4-7-14/h9-10,14,16,20H,2-8,11-12H2,1H3/t16-/m0/s1
InChIKeyRTNHDXAFYRSHEN-INIZCTEOSA-N
MW342.44 g/mol
LogP2.44
Rot. Bonds3

About 6-[2-[(2S)-2-cyclohexylpyrrolidin-1-yl]-2-oxoethyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

6-[2-[(2S)-2-cyclohexylpyrrolidin-1-yl]-2-oxoethyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 95288914) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 6-[2-[(2S)-2-cyclohexylpyrrolidin-1-yl]-2-oxoethyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name6-[2-[(2S)-2-cyclohexylpyrrolidin-1-yl]-2-oxoethyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID95288914
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name6-[2-[(2S)-2-cyclohexylpyrrolidin-1-yl]-2-oxoethyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2cc[nH]n2c(=O)c1CC(=O)N1CCC[C@H]1C1CCCCC1
InChIInChI=1S/C19H26N4O2/c1-13-15(19(25)23-17(21-13)9-10-20-23)12-18(24)22-11-5-8-16(22)14-6-3-2-4-7-14/h9-10,14,16,20H,2-8,11-12H2,1H3/t16-/m0/s1
InChIKeyRTNHDXAFYRSHEN-INIZCTEOSA-N
XLogP2.44
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[(2S)-2-cyclohexylpyrrolidin-1-yl]-2-oxoethyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 6-[2-[(2S)-2-cyclohexylpyrrolidin-1-yl]-2-oxoethyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 95288914) is 6-[2-[(2S)-2-cyclohexylpyrrolidin-1-yl]-2-oxoethyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 6-[2-[(2S)-2-cyclohexylpyrrolidin-1-yl]-2-oxoethyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 6-[2-[(2S)-2-cyclohexylpyrrolidin-1-yl]-2-oxoethyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1nc2cc[nH]n2c(=O)c1CC(=O)N1CCC[C@H]1C1CCCCC1.
What is the InChIKey of 6-[2-[(2S)-2-cyclohexylpyrrolidin-1-yl]-2-oxoethyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is RTNHDXAFYRSHEN-INIZCTEOSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-13-15(19(25)23-17(21-13)9-10-20-23)12-18(24)22-11-5-8-16(22)14-6-3-2-4-7-14/h9-10,14,16,20H,2-8,11-12H2,1H3/t16-/m0/s1.
What are the key properties of 6-[2-[(2S)-2-cyclohexylpyrrolidin-1-yl]-2-oxoethyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
6-[2-[(2S)-2-cyclohexylpyrrolidin-1-yl]-2-oxoethyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 342.44 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[(2S)-2-cyclohexylpyrrolidin-1-yl]-2-oxoethyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 95288914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).