(7-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-2-yl)-morpholin-4-ylmethanone

C18H18N4O2 — CID 749641

IUPAC(7-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-2-yl)-morpholin-4-ylmethanone
SMILESCc1cc(-c2ccccc2)nc2cc(C(=O)N3CCOCC3)nn12
InChIInChI=1S/C18H18N4O2/c1-13-11-15(14-5-3-2-4-6-14)19-17-12-16(20-22(13)17)18(23)21-7-9-24-10-8-21/h2-6,11-12H,7-10H2,1H3
InChIKeyOBAHMYACYJAVMR-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.18
Rot. Bonds2

About (7-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-2-yl)-morpholin-4-ylmethanone

(7-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-2-yl)-morpholin-4-ylmethanone (PubChem CID 749641) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is (7-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-2-yl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(7-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-2-yl)-morpholin-4-ylmethanone
PubChem CID749641
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name(7-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-2-yl)-morpholin-4-ylmethanone
SMILESCc1cc(-c2ccccc2)nc2cc(C(=O)N3CCOCC3)nn12
InChIInChI=1S/C18H18N4O2/c1-13-11-15(14-5-3-2-4-6-14)19-17-12-16(20-22(13)17)18(23)21-7-9-24-10-8-21/h2-6,11-12H,7-10H2,1H3
InChIKeyOBAHMYACYJAVMR-UHFFFAOYSA-N
XLogP2.18
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (7-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-2-yl)-morpholin-4-ylmethanone?
The IUPAC name of (7-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-2-yl)-morpholin-4-ylmethanone (CID 749641) is (7-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-2-yl)-morpholin-4-ylmethanone.
What is the SMILES notation for (7-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-2-yl)-morpholin-4-ylmethanone?
The canonical SMILES for (7-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-2-yl)-morpholin-4-ylmethanone is Cc1cc(-c2ccccc2)nc2cc(C(=O)N3CCOCC3)nn12.
What is the InChIKey of (7-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-2-yl)-morpholin-4-ylmethanone?
The InChIKey is OBAHMYACYJAVMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-13-11-15(14-5-3-2-4-6-14)19-17-12-16(20-22(13)17)18(23)21-7-9-24-10-8-21/h2-6,11-12H,7-10H2,1H3.
What are the key properties of (7-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-2-yl)-morpholin-4-ylmethanone?
(7-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-2-yl)-morpholin-4-ylmethanone has a molecular weight of 322.37 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-2-yl)-morpholin-4-ylmethanone is sourced from PubChem (CID 749641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).