[7-(4-chlorophenyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-morpholin-4-ylmethanone

C18H19ClN4O2 — CID 90887296

IUPAC[7-(4-chlorophenyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-morpholin-4-ylmethanone
SMILESCC1=Nc2ccnn2C(c2ccc(Cl)cc2)C1C(=O)N1CCOCC1
InChIInChI=1S/C18H19ClN4O2/c1-12-16(18(24)22-8-10-25-11-9-22)17(13-2-4-14(19)5-3-13)23-15(21-12)6-7-20-23/h2-7,16-17H,8-11H2,1H3
InChIKeyLIJGHQJPUBOZQM-UHFFFAOYSA-N
MW358.83 g/mol
LogP2.71
Rot. Bonds2

About [7-(4-chlorophenyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-morpholin-4-ylmethanone

[7-(4-chlorophenyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-morpholin-4-ylmethanone (PubChem CID 90887296) has the molecular formula C18H19ClN4O2 and a molecular weight of 358.83 g/mol. Its IUPAC name is [7-(4-chlorophenyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[7-(4-chlorophenyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-morpholin-4-ylmethanone
PubChem CID90887296
Molecular FormulaC18H19ClN4O2
Molecular Weight358.83 g/mol
Exact Mass358.12
IUPAC Name[7-(4-chlorophenyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-morpholin-4-ylmethanone
SMILESCC1=Nc2ccnn2C(c2ccc(Cl)cc2)C1C(=O)N1CCOCC1
InChIInChI=1S/C18H19ClN4O2/c1-12-16(18(24)22-8-10-25-11-9-22)17(13-2-4-14(19)5-3-13)23-15(21-12)6-7-20-23/h2-7,16-17H,8-11H2,1H3
InChIKeyLIJGHQJPUBOZQM-UHFFFAOYSA-N
XLogP2.71
TPSA59.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.83
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [7-(4-chlorophenyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-morpholin-4-ylmethanone?
The IUPAC name of [7-(4-chlorophenyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-morpholin-4-ylmethanone (CID 90887296) is [7-(4-chlorophenyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [7-(4-chlorophenyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [7-(4-chlorophenyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-morpholin-4-ylmethanone is CC1=Nc2ccnn2C(c2ccc(Cl)cc2)C1C(=O)N1CCOCC1.
What is the InChIKey of [7-(4-chlorophenyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-morpholin-4-ylmethanone?
The InChIKey is LIJGHQJPUBOZQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O2/c1-12-16(18(24)22-8-10-25-11-9-22)17(13-2-4-14(19)5-3-13)23-15(21-12)6-7-20-23/h2-7,16-17H,8-11H2,1H3.
What are the key properties of [7-(4-chlorophenyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-morpholin-4-ylmethanone?
[7-(4-chlorophenyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-morpholin-4-ylmethanone has a molecular weight of 358.83 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(4-chlorophenyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 90887296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).