4-[3-(2-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine

C17H17ClN4O — CID 4910004

IUPAC4-[3-(2-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine
SMILESCc1cc(N2CCOCC2)n2ncc(-c3ccccc3Cl)c2n1
InChIInChI=1S/C17H17ClN4O/c1-12-10-16(21-6-8-23-9-7-21)22-17(20-12)14(11-19-22)13-4-2-3-5-15(13)18/h2-5,10-11H,6-9H2,1H3
InChIKeyMBGHPEYQZJYPIZ-UHFFFAOYSA-N
MW328.80 g/mol
LogP3.19
Rot. Bonds2

About 4-[3-(2-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine

4-[3-(2-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine (PubChem CID 4910004) has the molecular formula C17H17ClN4O and a molecular weight of 328.80 g/mol. Its IUPAC name is 4-[3-(2-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine.

Molecular Properties

Compound Name4-[3-(2-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine
PubChem CID4910004
Molecular FormulaC17H17ClN4O
Molecular Weight328.80 g/mol
Exact Mass328.11
IUPAC Name4-[3-(2-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine
SMILESCc1cc(N2CCOCC2)n2ncc(-c3ccccc3Cl)c2n1
InChIInChI=1S/C17H17ClN4O/c1-12-10-16(21-6-8-23-9-7-21)22-17(20-12)14(11-19-22)13-4-2-3-5-15(13)18/h2-5,10-11H,6-9H2,1H3
InChIKeyMBGHPEYQZJYPIZ-UHFFFAOYSA-N
XLogP3.19
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
The IUPAC name of 4-[3-(2-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine (CID 4910004) is 4-[3-(2-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine.
What is the SMILES notation for 4-[3-(2-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
The canonical SMILES for 4-[3-(2-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine is Cc1cc(N2CCOCC2)n2ncc(-c3ccccc3Cl)c2n1.
What is the InChIKey of 4-[3-(2-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
The InChIKey is MBGHPEYQZJYPIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O/c1-12-10-16(21-6-8-23-9-7-21)22-17(20-12)14(11-19-22)13-4-2-3-5-15(13)18/h2-5,10-11H,6-9H2,1H3.
What are the key properties of 4-[3-(2-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
4-[3-(2-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine has a molecular weight of 328.80 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine is sourced from PubChem (CID 4910004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).