4-[5-chloro-2-(2-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine

C17H17ClN4O — CID 58531138

IUPAC4-[5-chloro-2-(2-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine
SMILESCc1ccccc1-c1cc2nc(Cl)cc(N3CCOCC3)n2n1
InChIInChI=1S/C17H17ClN4O/c1-12-4-2-3-5-13(12)14-10-16-19-15(18)11-17(22(16)20-14)21-6-8-23-9-7-21/h2-5,10-11H,6-9H2,1H3
InChIKeyIZZSAJRQRXPWEH-UHFFFAOYSA-N
MW328.80 g/mol
LogP3.19
Rot. Bonds2

About 4-[5-chloro-2-(2-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine

4-[5-chloro-2-(2-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine (PubChem CID 58531138) has the molecular formula C17H17ClN4O and a molecular weight of 328.80 g/mol. Its IUPAC name is 4-[5-chloro-2-(2-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine.

Molecular Properties

Compound Name4-[5-chloro-2-(2-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine
PubChem CID58531138
Molecular FormulaC17H17ClN4O
Molecular Weight328.80 g/mol
Exact Mass328.11
IUPAC Name4-[5-chloro-2-(2-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine
SMILESCc1ccccc1-c1cc2nc(Cl)cc(N3CCOCC3)n2n1
InChIInChI=1S/C17H17ClN4O/c1-12-4-2-3-5-13(12)14-10-16-19-15(18)11-17(22(16)20-14)21-6-8-23-9-7-21/h2-5,10-11H,6-9H2,1H3
InChIKeyIZZSAJRQRXPWEH-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-[5-chloro-2-(2-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
The IUPAC name of 4-[5-chloro-2-(2-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine (CID 58531138) is 4-[5-chloro-2-(2-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine.
What is the SMILES notation for 4-[5-chloro-2-(2-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
The canonical SMILES for 4-[5-chloro-2-(2-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine is Cc1ccccc1-c1cc2nc(Cl)cc(N3CCOCC3)n2n1.
What is the InChIKey of 4-[5-chloro-2-(2-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
The InChIKey is IZZSAJRQRXPWEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O/c1-12-4-2-3-5-13(12)14-10-16-19-15(18)11-17(22(16)20-14)21-6-8-23-9-7-21/h2-5,10-11H,6-9H2,1H3.
What are the key properties of 4-[5-chloro-2-(2-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
4-[5-chloro-2-(2-methylphenyl)pyrazolo[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-[5-chloro-2-(2-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine is sourced from PubChem (CID 58531138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).