(3,5-dimethyl-1-propylpyrazol-4-yl)-[(2S)-2-pyrazin-2-ylmorpholin-4-yl]methanone

C17H23N5O2 — CID 124953737

IUPAC(3,5-dimethyl-1-propylpyrazol-4-yl)-[(2S)-2-pyrazin-2-ylmorpholin-4-yl]methanone
SMILESCCCn1nc(C)c(C(=O)N2CCO[C@H](c3cnccn3)C2)c1C
InChIInChI=1S/C17H23N5O2/c1-4-7-22-13(3)16(12(2)20-22)17(23)21-8-9-24-15(11-21)14-10-18-5-6-19-14/h5-6,10,15H,4,7-9,11H2,1-3H3/t15-/m0/s1
InChIKeyDXIBPRHQTYYCNI-HNNXBMFYSA-N
MW329.40 g/mol
LogP1.91
Rot. Bonds4

About (3,5-dimethyl-1-propylpyrazol-4-yl)-[(2S)-2-pyrazin-2-ylmorpholin-4-yl]methanone

(3,5-dimethyl-1-propylpyrazol-4-yl)-[(2S)-2-pyrazin-2-ylmorpholin-4-yl]methanone (PubChem CID 124953737) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is (3,5-dimethyl-1-propylpyrazol-4-yl)-[(2S)-2-pyrazin-2-ylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name(3,5-dimethyl-1-propylpyrazol-4-yl)-[(2S)-2-pyrazin-2-ylmorpholin-4-yl]methanone
PubChem CID124953737
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name(3,5-dimethyl-1-propylpyrazol-4-yl)-[(2S)-2-pyrazin-2-ylmorpholin-4-yl]methanone
SMILESCCCn1nc(C)c(C(=O)N2CCO[C@H](c3cnccn3)C2)c1C
InChIInChI=1S/C17H23N5O2/c1-4-7-22-13(3)16(12(2)20-22)17(23)21-8-9-24-15(11-21)14-10-18-5-6-19-14/h5-6,10,15H,4,7-9,11H2,1-3H3/t15-/m0/s1
InChIKeyDXIBPRHQTYYCNI-HNNXBMFYSA-N
XLogP1.91
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (3,5-dimethyl-1-propylpyrazol-4-yl)-[(2S)-2-pyrazin-2-ylmorpholin-4-yl]methanone with MolForge

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Related Compounds

(1-propylpyrazol-3-yl)-[(2R)-2-pyrazin-2-ylmorpholin-4-yl]methanone
CID 124955626
2-[(2S)-4-(3,5-dimethyl-1-propylpyrazole-4-carbonyl)morpholin-2-yl]acetic acid
CID 124684475
(2,6-difluorophenyl)-[(2S)-2-pyrazin-2-ylmorpholin-4-yl]methanone
CID 124986914
(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-[(2R)-2-pyrazin-2-ylmorpholin-4-yl]methanone
CID 124982846
4-(3,5-dimethylpyrazol-1-yl)-1-[(2R)-2-pyrazin-2-ylmorpholin-4-yl]butan-1-one
CID 124983863
(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(2R)-2-pyrazin-2-ylmorpholin-4-yl]methanone
CID 124973919
(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(2S)-2-pyrazin-2-ylmorpholin-4-yl]methanone
CID 124973918
(4-methoxyphenyl)-[(2R)-2-pyrazin-2-ylmorpholin-4-yl]methanone
CID 124969089
(1-methylindol-3-yl)-[(2S)-2-pyrazin-2-ylmorpholin-4-yl]methanone
CID 124998929
[(3R)-3-aminopyrrolidin-1-yl]-(3,5-dimethyl-1-propylpyrazol-4-yl)methanone;hydrochloride
CID 119413051
[(2R)-2-pyrazin-2-ylmorpholin-4-yl]-(1,3-thiazol-4-yl)methanone
CID 125022410
(2-methoxyphenyl)-(2-pyrazin-2-ylmorpholin-4-yl)methanone
CID 127246249

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1-propylpyrazol-4-yl)-[(2S)-2-pyrazin-2-ylmorpholin-4-yl]methanone?
The IUPAC name of (3,5-dimethyl-1-propylpyrazol-4-yl)-[(2S)-2-pyrazin-2-ylmorpholin-4-yl]methanone (CID 124953737) is (3,5-dimethyl-1-propylpyrazol-4-yl)-[(2S)-2-pyrazin-2-ylmorpholin-4-yl]methanone.
What is the SMILES notation for (3,5-dimethyl-1-propylpyrazol-4-yl)-[(2S)-2-pyrazin-2-ylmorpholin-4-yl]methanone?
The canonical SMILES for (3,5-dimethyl-1-propylpyrazol-4-yl)-[(2S)-2-pyrazin-2-ylmorpholin-4-yl]methanone is CCCn1nc(C)c(C(=O)N2CCO[C@H](c3cnccn3)C2)c1C.
What is the InChIKey of (3,5-dimethyl-1-propylpyrazol-4-yl)-[(2S)-2-pyrazin-2-ylmorpholin-4-yl]methanone?
The InChIKey is DXIBPRHQTYYCNI-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-4-7-22-13(3)16(12(2)20-22)17(23)21-8-9-24-15(11-21)14-10-18-5-6-19-14/h5-6,10,15H,4,7-9,11H2,1-3H3/t15-/m0/s1.
What are the key properties of (3,5-dimethyl-1-propylpyrazol-4-yl)-[(2S)-2-pyrazin-2-ylmorpholin-4-yl]methanone?
(3,5-dimethyl-1-propylpyrazol-4-yl)-[(2S)-2-pyrazin-2-ylmorpholin-4-yl]methanone has a molecular weight of 329.40 g/mol, XLogP of 1.91, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1-propylpyrazol-4-yl)-[(2S)-2-pyrazin-2-ylmorpholin-4-yl]methanone is sourced from PubChem (CID 124953737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).