(1-benzyl-3-phenylpyrazol-4-yl)-(2-methylmorpholin-4-yl)methanone

C22H23N3O2 — CID 24575611

IUPAC(1-benzyl-3-phenylpyrazol-4-yl)-(2-methylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2cn(Cc3ccccc3)nc2-c2ccccc2)CCO1
InChIInChI=1S/C22H23N3O2/c1-17-14-24(12-13-27-17)22(26)20-16-25(15-18-8-4-2-5-9-18)23-21(20)19-10-6-3-7-11-19/h2-11,16-17H,12-15H2,1H3
InChIKeyXYORWHJBNHLEAU-UHFFFAOYSA-N
MW361.44 g/mol
LogP3.46
Rot. Bonds4

About (1-benzyl-3-phenylpyrazol-4-yl)-(2-methylmorpholin-4-yl)methanone

(1-benzyl-3-phenylpyrazol-4-yl)-(2-methylmorpholin-4-yl)methanone (PubChem CID 24575611) has the molecular formula C22H23N3O2 and a molecular weight of 361.44 g/mol. Its IUPAC name is (1-benzyl-3-phenylpyrazol-4-yl)-(2-methylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(1-benzyl-3-phenylpyrazol-4-yl)-(2-methylmorpholin-4-yl)methanone
PubChem CID24575611
Molecular FormulaC22H23N3O2
Molecular Weight361.44 g/mol
Exact Mass361.18
IUPAC Name(1-benzyl-3-phenylpyrazol-4-yl)-(2-methylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2cn(Cc3ccccc3)nc2-c2ccccc2)CCO1
InChIInChI=1S/C22H23N3O2/c1-17-14-24(12-13-27-17)22(26)20-16-25(15-18-8-4-2-5-9-18)23-21(20)19-10-6-3-7-11-19/h2-11,16-17H,12-15H2,1H3
InChIKeyXYORWHJBNHLEAU-UHFFFAOYSA-N
XLogP3.46
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-benzyl-3-phenylpyrazol-4-yl)-(2-methylmorpholin-4-yl)methanone?
The IUPAC name of (1-benzyl-3-phenylpyrazol-4-yl)-(2-methylmorpholin-4-yl)methanone (CID 24575611) is (1-benzyl-3-phenylpyrazol-4-yl)-(2-methylmorpholin-4-yl)methanone.
What is the SMILES notation for (1-benzyl-3-phenylpyrazol-4-yl)-(2-methylmorpholin-4-yl)methanone?
The canonical SMILES for (1-benzyl-3-phenylpyrazol-4-yl)-(2-methylmorpholin-4-yl)methanone is CC1CN(C(=O)c2cn(Cc3ccccc3)nc2-c2ccccc2)CCO1.
What is the InChIKey of (1-benzyl-3-phenylpyrazol-4-yl)-(2-methylmorpholin-4-yl)methanone?
The InChIKey is XYORWHJBNHLEAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-17-14-24(12-13-27-17)22(26)20-16-25(15-18-8-4-2-5-9-18)23-21(20)19-10-6-3-7-11-19/h2-11,16-17H,12-15H2,1H3.
What are the key properties of (1-benzyl-3-phenylpyrazol-4-yl)-(2-methylmorpholin-4-yl)methanone?
(1-benzyl-3-phenylpyrazol-4-yl)-(2-methylmorpholin-4-yl)methanone has a molecular weight of 361.44 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzyl-3-phenylpyrazol-4-yl)-(2-methylmorpholin-4-yl)methanone is sourced from PubChem (CID 24575611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).