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

C15H17N3O2 — CID 107330174

IUPAC(4-methylmorpholin-2-yl)-(2-phenylpyrazol-3-yl)methanone
SMILESCN1CCOC(C(=O)c2ccnn2-c2ccccc2)C1
InChIInChI=1S/C15H17N3O2/c1-17-9-10-20-14(11-17)15(19)13-7-8-16-18(13)12-5-3-2-4-6-12/h2-8,14H,9-11H2,1H3
InChIKeySMKSZYCNCDKYPI-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.39
Rot. Bonds3

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

(4-methylmorpholin-2-yl)-(2-phenylpyrazol-3-yl)methanone (PubChem CID 107330174) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is (4-methylmorpholin-2-yl)-(2-phenylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name(4-methylmorpholin-2-yl)-(2-phenylpyrazol-3-yl)methanone
PubChem CID107330174
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name(4-methylmorpholin-2-yl)-(2-phenylpyrazol-3-yl)methanone
SMILESCN1CCOC(C(=O)c2ccnn2-c2ccccc2)C1
InChIInChI=1S/C15H17N3O2/c1-17-9-10-20-14(11-17)15(19)13-7-8-16-18(13)12-5-3-2-4-6-12/h2-8,14H,9-11H2,1H3
InChIKeySMKSZYCNCDKYPI-UHFFFAOYSA-N
XLogP1.39
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-methylmorpholin-2-yl)-(2-phenylpyrazol-3-yl)methanone?
The IUPAC name of (4-methylmorpholin-2-yl)-(2-phenylpyrazol-3-yl)methanone (CID 107330174) is (4-methylmorpholin-2-yl)-(2-phenylpyrazol-3-yl)methanone.
What is the SMILES notation for (4-methylmorpholin-2-yl)-(2-phenylpyrazol-3-yl)methanone?
The canonical SMILES for (4-methylmorpholin-2-yl)-(2-phenylpyrazol-3-yl)methanone is CN1CCOC(C(=O)c2ccnn2-c2ccccc2)C1.
What is the InChIKey of (4-methylmorpholin-2-yl)-(2-phenylpyrazol-3-yl)methanone?
The InChIKey is SMKSZYCNCDKYPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-17-9-10-20-14(11-17)15(19)13-7-8-16-18(13)12-5-3-2-4-6-12/h2-8,14H,9-11H2,1H3.
What are the key properties of (4-methylmorpholin-2-yl)-(2-phenylpyrazol-3-yl)methanone?
(4-methylmorpholin-2-yl)-(2-phenylpyrazol-3-yl)methanone has a molecular weight of 271.32 g/mol, XLogP of 1.39, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylmorpholin-2-yl)-(2-phenylpyrazol-3-yl)methanone is sourced from PubChem (CID 107330174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).