(5-propan-2-yl-1-pyridin-2-ylpyrazol-4-yl)-(2,2,6-trimethylmorpholin-4-yl)methanone

C19H26N4O2 — CID 48690030

IUPAC(5-propan-2-yl-1-pyridin-2-ylpyrazol-4-yl)-(2,2,6-trimethylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2cnn(-c3ccccn3)c2C(C)C)CC(C)(C)O1
InChIInChI=1S/C19H26N4O2/c1-13(2)17-15(10-21-23(17)16-8-6-7-9-20-16)18(24)22-11-14(3)25-19(4,5)12-22/h6-10,13-14H,11-12H2,1-5H3
InChIKeyCAWMYWGCVAPBHL-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.03
Rot. Bonds3

About (5-propan-2-yl-1-pyridin-2-ylpyrazol-4-yl)-(2,2,6-trimethylmorpholin-4-yl)methanone

(5-propan-2-yl-1-pyridin-2-ylpyrazol-4-yl)-(2,2,6-trimethylmorpholin-4-yl)methanone (PubChem CID 48690030) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is (5-propan-2-yl-1-pyridin-2-ylpyrazol-4-yl)-(2,2,6-trimethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(5-propan-2-yl-1-pyridin-2-ylpyrazol-4-yl)-(2,2,6-trimethylmorpholin-4-yl)methanone
PubChem CID48690030
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name(5-propan-2-yl-1-pyridin-2-ylpyrazol-4-yl)-(2,2,6-trimethylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2cnn(-c3ccccn3)c2C(C)C)CC(C)(C)O1
InChIInChI=1S/C19H26N4O2/c1-13(2)17-15(10-21-23(17)16-8-6-7-9-20-16)18(24)22-11-14(3)25-19(4,5)12-22/h6-10,13-14H,11-12H2,1-5H3
InChIKeyCAWMYWGCVAPBHL-UHFFFAOYSA-N
XLogP3.03
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-propan-2-yl-1-pyridin-2-ylpyrazol-4-yl)-(2,2,6-trimethylmorpholin-4-yl)methanone?
The IUPAC name of (5-propan-2-yl-1-pyridin-2-ylpyrazol-4-yl)-(2,2,6-trimethylmorpholin-4-yl)methanone (CID 48690030) is (5-propan-2-yl-1-pyridin-2-ylpyrazol-4-yl)-(2,2,6-trimethylmorpholin-4-yl)methanone.
What is the SMILES notation for (5-propan-2-yl-1-pyridin-2-ylpyrazol-4-yl)-(2,2,6-trimethylmorpholin-4-yl)methanone?
The canonical SMILES for (5-propan-2-yl-1-pyridin-2-ylpyrazol-4-yl)-(2,2,6-trimethylmorpholin-4-yl)methanone is CC1CN(C(=O)c2cnn(-c3ccccn3)c2C(C)C)CC(C)(C)O1.
What is the InChIKey of (5-propan-2-yl-1-pyridin-2-ylpyrazol-4-yl)-(2,2,6-trimethylmorpholin-4-yl)methanone?
The InChIKey is CAWMYWGCVAPBHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-13(2)17-15(10-21-23(17)16-8-6-7-9-20-16)18(24)22-11-14(3)25-19(4,5)12-22/h6-10,13-14H,11-12H2,1-5H3.
What are the key properties of (5-propan-2-yl-1-pyridin-2-ylpyrazol-4-yl)-(2,2,6-trimethylmorpholin-4-yl)methanone?
(5-propan-2-yl-1-pyridin-2-ylpyrazol-4-yl)-(2,2,6-trimethylmorpholin-4-yl)methanone has a molecular weight of 342.44 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-propan-2-yl-1-pyridin-2-ylpyrazol-4-yl)-(2,2,6-trimethylmorpholin-4-yl)methanone is sourced from PubChem (CID 48690030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).