(2-propan-2-ylpyrazol-3-yl)-(2-pyridin-4-ylmorpholin-4-yl)methanone

C16H20N4O2 — CID 155983403

IUPAC(2-propan-2-ylpyrazol-3-yl)-(2-pyridin-4-ylmorpholin-4-yl)methanone
SMILESCC(C)n1nccc1C(=O)N1CCOC(c2ccncc2)C1
InChIInChI=1S/C16H20N4O2/c1-12(2)20-14(5-8-18-20)16(21)19-9-10-22-15(11-19)13-3-6-17-7-4-13/h3-8,12,15H,9-11H2,1-2H3
InChIKeyYCDYBZXVXHGZAI-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.07
Rot. Bonds3

About (2-propan-2-ylpyrazol-3-yl)-(2-pyridin-4-ylmorpholin-4-yl)methanone

(2-propan-2-ylpyrazol-3-yl)-(2-pyridin-4-ylmorpholin-4-yl)methanone (PubChem CID 155983403) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is (2-propan-2-ylpyrazol-3-yl)-(2-pyridin-4-ylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(2-propan-2-ylpyrazol-3-yl)-(2-pyridin-4-ylmorpholin-4-yl)methanone
PubChem CID155983403
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name(2-propan-2-ylpyrazol-3-yl)-(2-pyridin-4-ylmorpholin-4-yl)methanone
SMILESCC(C)n1nccc1C(=O)N1CCOC(c2ccncc2)C1
InChIInChI=1S/C16H20N4O2/c1-12(2)20-14(5-8-18-20)16(21)19-9-10-22-15(11-19)13-3-6-17-7-4-13/h3-8,12,15H,9-11H2,1-2H3
InChIKeyYCDYBZXVXHGZAI-UHFFFAOYSA-N
XLogP2.07
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-propan-2-yl-2-pyridin-4-ylmorpholine
CID 176665996
(4-methyl-1,3-thiazol-5-yl)-[(2R)-2-pyridin-4-ylmorpholin-4-yl]methanone
CID 124998940
1-[4-(2-pyridin-4-ylmorpholine-4-carbonyl)piperidin-1-yl]ethanone
CID 110102575
isoquinolin-1-yl-[(2R)-2-pyridin-4-ylmorpholin-4-yl]methanone
CID 124957778
[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-(4-propan-2-ylpyrimidin-5-yl)methanone
CID 95580110
3-(5-methylpyrazol-1-yl)-1-[(2S)-2-pyridin-4-ylmorpholin-4-yl]propan-1-one
CID 125026147
(2-phenylmorpholin-4-yl)-(4-propan-2-ylphenyl)methanone
CID 84510718
(2-pyridin-4-ylmorpholin-4-yl)-quinolin-5-ylmethanone
CID 110102580
methyl 2-(4-propan-2-ylphenyl)morpholine-4-carboxylate
CID 110364132
(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-(2-pyridin-4-ylmorpholin-4-yl)methanone
CID 110102615
3-chloro-5-[(2S)-2-pyridin-4-ylmorpholine-4-carbonyl]-1H-pyridin-2-one
CID 124953854
(6R)-N,1-dimethyl-4-(2-propan-2-ylpyrazole-3-carbonyl)-1,4-diazepane-6-carboxamide
CID 125022126

Frequently Asked Questions

What is the IUPAC name of (2-propan-2-ylpyrazol-3-yl)-(2-pyridin-4-ylmorpholin-4-yl)methanone?
The IUPAC name of (2-propan-2-ylpyrazol-3-yl)-(2-pyridin-4-ylmorpholin-4-yl)methanone (CID 155983403) is (2-propan-2-ylpyrazol-3-yl)-(2-pyridin-4-ylmorpholin-4-yl)methanone.
What is the SMILES notation for (2-propan-2-ylpyrazol-3-yl)-(2-pyridin-4-ylmorpholin-4-yl)methanone?
The canonical SMILES for (2-propan-2-ylpyrazol-3-yl)-(2-pyridin-4-ylmorpholin-4-yl)methanone is CC(C)n1nccc1C(=O)N1CCOC(c2ccncc2)C1.
What is the InChIKey of (2-propan-2-ylpyrazol-3-yl)-(2-pyridin-4-ylmorpholin-4-yl)methanone?
The InChIKey is YCDYBZXVXHGZAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-12(2)20-14(5-8-18-20)16(21)19-9-10-22-15(11-19)13-3-6-17-7-4-13/h3-8,12,15H,9-11H2,1-2H3.
What are the key properties of (2-propan-2-ylpyrazol-3-yl)-(2-pyridin-4-ylmorpholin-4-yl)methanone?
(2-propan-2-ylpyrazol-3-yl)-(2-pyridin-4-ylmorpholin-4-yl)methanone has a molecular weight of 300.36 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-propan-2-ylpyrazol-3-yl)-(2-pyridin-4-ylmorpholin-4-yl)methanone is sourced from PubChem (CID 155983403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).