2-(3-chlorophenyl)-3-methyl-5-(3-morpholin-4-ylpropyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

C20H23ClN4O2 — CID 46973755

IUPAC2-(3-chlorophenyl)-3-methyl-5-(3-morpholin-4-ylpropyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1c(-c2cccc(Cl)c2)[nH]n2c(=O)cc(CCCN3CCOCC3)nc12
InChIInChI=1S/C20H23ClN4O2/c1-14-19(15-4-2-5-16(21)12-15)23-25-18(26)13-17(22-20(14)25)6-3-7-24-8-10-27-11-9-24/h2,4-5,12-13,23H,3,6-11H2,1H3
InChIKeyQTTUZLIZENWOJQ-UHFFFAOYSA-N
MW386.88 g/mol
LogP2.92
Rot. Bonds5

About 2-(3-chlorophenyl)-3-methyl-5-(3-morpholin-4-ylpropyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

2-(3-chlorophenyl)-3-methyl-5-(3-morpholin-4-ylpropyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 46973755) has the molecular formula C20H23ClN4O2 and a molecular weight of 386.88 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-3-methyl-5-(3-morpholin-4-ylpropyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-(3-chlorophenyl)-3-methyl-5-(3-morpholin-4-ylpropyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID46973755
Molecular FormulaC20H23ClN4O2
Molecular Weight386.88 g/mol
Exact Mass386.15
IUPAC Name2-(3-chlorophenyl)-3-methyl-5-(3-morpholin-4-ylpropyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1c(-c2cccc(Cl)c2)[nH]n2c(=O)cc(CCCN3CCOCC3)nc12
InChIInChI=1S/C20H23ClN4O2/c1-14-19(15-4-2-5-16(21)12-15)23-25-18(26)13-17(22-20(14)25)6-3-7-24-8-10-27-11-9-24/h2,4-5,12-13,23H,3,6-11H2,1H3
InChIKeyQTTUZLIZENWOJQ-UHFFFAOYSA-N
XLogP2.92
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.88
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2,3-Dichlorobenzyl)-5-morpholino-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-ol
CID 71270927
5-methyl-6-morpholin-4-yl-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 134308110
Tert-butyl 4-[2-(4-chlorophenyl)-7-hydroxypyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate
CID 9550249
2-(3-chlorophenyl)-5-[[(4-fluorophenyl)methyl-methylamino]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 46382045
tert-butyl 4-[3-(4-chlorophenyl)-2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate
CID 137643457
5-(2-Chlorophenyl)-11-(2-methylpropanoyl)-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,4-trien-8-one
CID 53184085
5-[[benzyl(methyl)amino]methyl]-2-(3-chlorophenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 46382015
7-acetyl-2-(2-chlorophenyl)-5,6,7,8-tetrahydropyrazolo[1,5-a]pyrido[4,3-d]pyrimidin-9(1H)-one
CID 53184100
2-methyl-5-(morpholinomethyl)-3-phenyl-4H-pyrazolo[1,5-a]pyrimidin-7-one
CID 166606545
5-(3-chloro-4-fluorophenyl)-N-[(1-ethylpiperidin-4-yl)methyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 16733818
5-(3-chloro-4-fluorophenyl)-N-[(1-methylpiperidin-4-yl)methyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 16733976
5-(3-chloro-4-fluorophenyl)-7-oxo-N-[(1-propan-2-ylpiperidin-4-yl)methyl]-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 59333257

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-3-methyl-5-(3-morpholin-4-ylpropyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-(3-chlorophenyl)-3-methyl-5-(3-morpholin-4-ylpropyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 46973755) is 2-(3-chlorophenyl)-3-methyl-5-(3-morpholin-4-ylpropyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-(3-chlorophenyl)-3-methyl-5-(3-morpholin-4-ylpropyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-(3-chlorophenyl)-3-methyl-5-(3-morpholin-4-ylpropyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1c(-c2cccc(Cl)c2)[nH]n2c(=O)cc(CCCN3CCOCC3)nc12.
What is the InChIKey of 2-(3-chlorophenyl)-3-methyl-5-(3-morpholin-4-ylpropyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is QTTUZLIZENWOJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4O2/c1-14-19(15-4-2-5-16(21)12-15)23-25-18(26)13-17(22-20(14)25)6-3-7-24-8-10-27-11-9-24/h2,4-5,12-13,23H,3,6-11H2,1H3.
What are the key properties of 2-(3-chlorophenyl)-3-methyl-5-(3-morpholin-4-ylpropyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
2-(3-chlorophenyl)-3-methyl-5-(3-morpholin-4-ylpropyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 386.88 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-3-methyl-5-(3-morpholin-4-ylpropyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 46973755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).