[7-(2,3-dichlorophenyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-piperidin-1-ylmethanone

C19H20Cl2N4O — CID 91501772

IUPAC[7-(2,3-dichlorophenyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-piperidin-1-ylmethanone
SMILESCC1=Nc2ccnn2C(c2cccc(Cl)c2Cl)C1C(=O)N1CCCCC1
InChIInChI=1S/C19H20Cl2N4O/c1-12-16(19(26)24-10-3-2-4-11-24)18(25-15(23-12)8-9-22-25)13-6-5-7-14(20)17(13)21/h5-9,16,18H,2-4,10-11H2,1H3
InChIKeyXBSORHWDVBYTOG-UHFFFAOYSA-N
MW391.30 g/mol
LogP4.51
Rot. Bonds2

About [7-(2,3-dichlorophenyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-piperidin-1-ylmethanone

[7-(2,3-dichlorophenyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-piperidin-1-ylmethanone (PubChem CID 91501772) has the molecular formula C19H20Cl2N4O and a molecular weight of 391.30 g/mol. Its IUPAC name is [7-(2,3-dichlorophenyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[7-(2,3-dichlorophenyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-piperidin-1-ylmethanone
PubChem CID91501772
Molecular FormulaC19H20Cl2N4O
Molecular Weight391.30 g/mol
Exact Mass390.10
IUPAC Name[7-(2,3-dichlorophenyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-piperidin-1-ylmethanone
SMILESCC1=Nc2ccnn2C(c2cccc(Cl)c2Cl)C1C(=O)N1CCCCC1
InChIInChI=1S/C19H20Cl2N4O/c1-12-16(19(26)24-10-3-2-4-11-24)18(25-15(23-12)8-9-22-25)13-6-5-7-14(20)17(13)21/h5-9,16,18H,2-4,10-11H2,1H3
InChIKeyXBSORHWDVBYTOG-UHFFFAOYSA-N
XLogP4.51
TPSA50.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.30
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [7-(2,3-dichlorophenyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-piperidin-1-ylmethanone?
The IUPAC name of [7-(2,3-dichlorophenyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-piperidin-1-ylmethanone (CID 91501772) is [7-(2,3-dichlorophenyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [7-(2,3-dichlorophenyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [7-(2,3-dichlorophenyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-piperidin-1-ylmethanone is CC1=Nc2ccnn2C(c2cccc(Cl)c2Cl)C1C(=O)N1CCCCC1.
What is the InChIKey of [7-(2,3-dichlorophenyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-piperidin-1-ylmethanone?
The InChIKey is XBSORHWDVBYTOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N4O/c1-12-16(19(26)24-10-3-2-4-11-24)18(25-15(23-12)8-9-22-25)13-6-5-7-14(20)17(13)21/h5-9,16,18H,2-4,10-11H2,1H3.
What are the key properties of [7-(2,3-dichlorophenyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-piperidin-1-ylmethanone?
[7-(2,3-dichlorophenyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-piperidin-1-ylmethanone has a molecular weight of 391.30 g/mol, XLogP of 4.51, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(2,3-dichlorophenyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 91501772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).