(3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-4-quinoxalin-2-ylmorpholine

C17H19N5O — CID 97330544

IUPAC(3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-4-quinoxalin-2-ylmorpholine
SMILESCc1n[nH]c(C)c1[C@@H]1COCCN1c1cnc2ccccc2n1
InChIInChI=1S/C17H19N5O/c1-11-17(12(2)21-20-11)15-10-23-8-7-22(15)16-9-18-13-5-3-4-6-14(13)19-16/h3-6,9,15H,7-8,10H2,1-2H3,(H,20,21)/t15-/m0/s1
InChIKeyALLVJXXODUQLNK-HNNXBMFYSA-N
MW309.37 g/mol
LogP2.55
Rot. Bonds2

About (3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-4-quinoxalin-2-ylmorpholine

(3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-4-quinoxalin-2-ylmorpholine (PubChem CID 97330544) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is (3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-4-quinoxalin-2-ylmorpholine.

Molecular Properties

Compound Name(3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-4-quinoxalin-2-ylmorpholine
PubChem CID97330544
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name(3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-4-quinoxalin-2-ylmorpholine
SMILESCc1n[nH]c(C)c1[C@@H]1COCCN1c1cnc2ccccc2n1
InChIInChI=1S/C17H19N5O/c1-11-17(12(2)21-20-11)15-10-23-8-7-22(15)16-9-18-13-5-3-4-6-14(13)19-16/h3-6,9,15H,7-8,10H2,1-2H3,(H,20,21)/t15-/m0/s1
InChIKeyALLVJXXODUQLNK-HNNXBMFYSA-N
XLogP2.55
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-quinoxalin-2-ylmorpholine
CID 98575907
(3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-4-propan-2-ylmorpholine
CID 125457640
1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-3-(2-methylphenyl)propan-1-one
CID 75470411
(3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-4-(2-fluorophenyl)sulfonylmorpholine
CID 97330629
(3S)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine
CID 97330885
[(3S)-3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-(1H-indol-2-yl)methanone
CID 97251880
[(3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-(1H-indol-2-yl)methanone
CID 97251879
1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-3-phenylpropan-1-one
CID 75470373
3-(3,5-dimethyl-1H-pyrazol-4-yl)-4-pyridin-3-ylsulfonylmorpholine
CID 154807999
[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-(4-hydroxy-3-methyl-1H-pyrazol-5-yl)methanone
CID 137247350
[(3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-(1H-indol-7-yl)methanone
CID 97330778
1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-2-(3-methylphenyl)ethanone
CID 75470410

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-4-quinoxalin-2-ylmorpholine?
The IUPAC name of (3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-4-quinoxalin-2-ylmorpholine (CID 97330544) is (3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-4-quinoxalin-2-ylmorpholine.
What is the SMILES notation for (3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-4-quinoxalin-2-ylmorpholine?
The canonical SMILES for (3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-4-quinoxalin-2-ylmorpholine is Cc1n[nH]c(C)c1[C@@H]1COCCN1c1cnc2ccccc2n1.
What is the InChIKey of (3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-4-quinoxalin-2-ylmorpholine?
The InChIKey is ALLVJXXODUQLNK-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H19N5O/c1-11-17(12(2)21-20-11)15-10-23-8-7-22(15)16-9-18-13-5-3-4-6-14(13)19-16/h3-6,9,15H,7-8,10H2,1-2H3,(H,20,21)/t15-/m0/s1.
What are the key properties of (3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-4-quinoxalin-2-ylmorpholine?
(3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-4-quinoxalin-2-ylmorpholine has a molecular weight of 309.37 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-4-quinoxalin-2-ylmorpholine is sourced from PubChem (CID 97330544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).