4-(5-tert-butyl-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine

C21H26N4O — CID 3772864

IUPAC4-(5-tert-butyl-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine
SMILESCc1nn2c(N3CCOCC3)cc(C(C)(C)C)nc2c1-c1ccccc1
InChIInChI=1S/C21H26N4O/c1-15-19(16-8-6-5-7-9-16)20-22-17(21(2,3)4)14-18(25(20)23-15)24-10-12-26-13-11-24/h5-9,14H,10-13H2,1-4H3
InChIKeyUUWFSCSIEKZSIT-UHFFFAOYSA-N
MW350.47 g/mol
LogP3.84
Rot. Bonds2

About 4-(5-tert-butyl-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine

4-(5-tert-butyl-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine (PubChem CID 3772864) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is 4-(5-tert-butyl-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine.

Molecular Properties

Compound Name4-(5-tert-butyl-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine
PubChem CID3772864
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC Name4-(5-tert-butyl-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine
SMILESCc1nn2c(N3CCOCC3)cc(C(C)(C)C)nc2c1-c1ccccc1
InChIInChI=1S/C21H26N4O/c1-15-19(16-8-6-5-7-9-16)20-22-17(21(2,3)4)14-18(25(20)23-15)24-10-12-26-13-11-24/h5-9,14H,10-13H2,1-4H3
InChIKeyUUWFSCSIEKZSIT-UHFFFAOYSA-N
XLogP3.84
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(5-tert-butyl-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine?
The IUPAC name of 4-(5-tert-butyl-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine (CID 3772864) is 4-(5-tert-butyl-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine.
What is the SMILES notation for 4-(5-tert-butyl-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine?
The canonical SMILES for 4-(5-tert-butyl-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine is Cc1nn2c(N3CCOCC3)cc(C(C)(C)C)nc2c1-c1ccccc1.
What is the InChIKey of 4-(5-tert-butyl-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine?
The InChIKey is UUWFSCSIEKZSIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O/c1-15-19(16-8-6-5-7-9-16)20-22-17(21(2,3)4)14-18(25(20)23-15)24-10-12-26-13-11-24/h5-9,14H,10-13H2,1-4H3.
What are the key properties of 4-(5-tert-butyl-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine?
4-(5-tert-butyl-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine has a molecular weight of 350.47 g/mol, XLogP of 3.84, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-tert-butyl-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine is sourced from PubChem (CID 3772864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).