[3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]-pyrimidin-4-ylmethanone

C13H15N5O2 — CID 110132428

IUPAC[3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]-pyrimidin-4-ylmethanone
SMILESCc1cn[nH]c1C1COCCN1C(=O)c1ccncn1
InChIInChI=1S/C13H15N5O2/c1-9-6-16-17-12(9)11-7-20-5-4-18(11)13(19)10-2-3-14-8-15-10/h2-3,6,8,11H,4-5,7H2,1H3,(H,16,17)
InChIKeySRUPQODAMOZNNY-UHFFFAOYSA-N
MW273.30 g/mol
LogP0.72
Rot. Bonds2

About [3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]-pyrimidin-4-ylmethanone

[3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]-pyrimidin-4-ylmethanone (PubChem CID 110132428) has the molecular formula C13H15N5O2 and a molecular weight of 273.30 g/mol. Its IUPAC name is [3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]-pyrimidin-4-ylmethanone.

Molecular Properties

Compound Name[3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]-pyrimidin-4-ylmethanone
PubChem CID110132428
Molecular FormulaC13H15N5O2
Molecular Weight273.30 g/mol
Exact Mass273.12
IUPAC Name[3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]-pyrimidin-4-ylmethanone
SMILESCc1cn[nH]c1C1COCCN1C(=O)c1ccncn1
InChIInChI=1S/C13H15N5O2/c1-9-6-16-17-12(9)11-7-20-5-4-18(11)13(19)10-2-3-14-8-15-10/h2-3,6,8,11H,4-5,7H2,1H3,(H,16,17)
InChIKeySRUPQODAMOZNNY-UHFFFAOYSA-N
XLogP0.72
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)morpholin-4-yl]-pyrimidin-4-ylmethanone
CID 124994732
(5-methylpyrazin-2-yl)-[(3R)-3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]methanone
CID 124972296
[3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]-pyridazin-4-ylmethanone
CID 110132433
[3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]-(2-methylpyrimidin-5-yl)methanone
CID 110132430
(5-methyl-1,3-oxazol-4-yl)-[(3R)-3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]methanone
CID 124963161
[(3S)-3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]-(1-propylpyrazol-3-yl)methanone
CID 124954435
[3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]-(1,3-thiazol-5-yl)methanone
CID 110132537
1H-indol-2-yl-[(3R)-3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]methanone
CID 124988103
(3-ethyl-1,2-oxazol-5-yl)-[(3R)-3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]methanone
CID 124972211
1-[3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]-2-(5-methylthiophen-2-yl)ethanone
CID 110132457
[(3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)morpholin-4-yl]-pyridin-4-ylmethanone
CID 124988616
[(3R)-3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]-[3-(1,2,4-triazol-4-yl)phenyl]methanone
CID 124990692

Frequently Asked Questions

What is the IUPAC name of [3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]-pyrimidin-4-ylmethanone?
The IUPAC name of [3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]-pyrimidin-4-ylmethanone (CID 110132428) is [3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]-pyrimidin-4-ylmethanone.
What is the SMILES notation for [3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]-pyrimidin-4-ylmethanone?
The canonical SMILES for [3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]-pyrimidin-4-ylmethanone is Cc1cn[nH]c1C1COCCN1C(=O)c1ccncn1.
What is the InChIKey of [3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]-pyrimidin-4-ylmethanone?
The InChIKey is SRUPQODAMOZNNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2/c1-9-6-16-17-12(9)11-7-20-5-4-18(11)13(19)10-2-3-14-8-15-10/h2-3,6,8,11H,4-5,7H2,1H3,(H,16,17).
What are the key properties of [3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]-pyrimidin-4-ylmethanone?
[3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]-pyrimidin-4-ylmethanone has a molecular weight of 273.30 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]-pyrimidin-4-ylmethanone is sourced from PubChem (CID 110132428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).