1-(2-methylphenyl)-6-[[(1R,2R)-2-nitrosocyclopentyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one

C18H19N5O2 — CID 136635266

IUPAC1-(2-methylphenyl)-6-[[(1R,2R)-2-nitrosocyclopentyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1ccccc1-n1ncc2c(=O)[nH]c(C[C@H]3CCC[C@H]3N=O)nc21
InChIInChI=1S/C18H19N5O2/c1-11-5-2-3-8-15(11)23-17-13(10-19-23)18(24)21-16(20-17)9-12-6-4-7-14(12)22-25/h2-3,5,8,10,12,14H,4,6-7,9H2,1H3,(H,20,21,24)/t12-,14-/m1/s1
InChIKeyNCSMUUAHYYLXNK-TZMCWYRMSA-N
MW337.38 g/mol
LogP2.89
Rot. Bonds4

About 1-(2-methylphenyl)-6-[[(1R,2R)-2-nitrosocyclopentyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one

1-(2-methylphenyl)-6-[[(1R,2R)-2-nitrosocyclopentyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 136635266) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 1-(2-methylphenyl)-6-[[(1R,2R)-2-nitrosocyclopentyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-(2-methylphenyl)-6-[[(1R,2R)-2-nitrosocyclopentyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID136635266
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name1-(2-methylphenyl)-6-[[(1R,2R)-2-nitrosocyclopentyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1ccccc1-n1ncc2c(=O)[nH]c(C[C@H]3CCC[C@H]3N=O)nc21
InChIInChI=1S/C18H19N5O2/c1-11-5-2-3-8-15(11)23-17-13(10-19-23)18(24)21-16(20-17)9-12-6-4-7-14(12)22-25/h2-3,5,8,10,12,14H,4,6-7,9H2,1H3,(H,20,21,24)/t12-,14-/m1/s1
InChIKeyNCSMUUAHYYLXNK-TZMCWYRMSA-N
XLogP2.89
TPSA93.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-6-[[(1R,2R)-2-nitrosocyclopentyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-(2-methylphenyl)-6-[[(1R,2R)-2-nitrosocyclopentyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 136635266) is 1-(2-methylphenyl)-6-[[(1R,2R)-2-nitrosocyclopentyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-(2-methylphenyl)-6-[[(1R,2R)-2-nitrosocyclopentyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-(2-methylphenyl)-6-[[(1R,2R)-2-nitrosocyclopentyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one is Cc1ccccc1-n1ncc2c(=O)[nH]c(C[C@H]3CCC[C@H]3N=O)nc21.
What is the InChIKey of 1-(2-methylphenyl)-6-[[(1R,2R)-2-nitrosocyclopentyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is NCSMUUAHYYLXNK-TZMCWYRMSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-11-5-2-3-8-15(11)23-17-13(10-19-23)18(24)21-16(20-17)9-12-6-4-7-14(12)22-25/h2-3,5,8,10,12,14H,4,6-7,9H2,1H3,(H,20,21,24)/t12-,14-/m1/s1.
What are the key properties of 1-(2-methylphenyl)-6-[[(1R,2R)-2-nitrosocyclopentyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
1-(2-methylphenyl)-6-[[(1R,2R)-2-nitrosocyclopentyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 337.38 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-6-[[(1R,2R)-2-nitrosocyclopentyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 136635266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).