3-(3,5-dimethylpyrazol-1-yl)-1-[(2R)-2-[1-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]propan-1-one

C16H25N7O3 — CID 124750662

IUPAC3-(3,5-dimethylpyrazol-1-yl)-1-[(2R)-2-[1-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]propan-1-one
SMILESCOCCn1nnnc1[C@H]1CN(C(=O)CCn2nc(C)cc2C)CCO1
InChIInChI=1S/C16H25N7O3/c1-12-10-13(2)22(18-12)5-4-15(24)21-6-9-26-14(11-21)16-17-19-20-23(16)7-8-25-3/h10,14H,4-9,11H2,1-3H3/t14-/m1/s1
InChIKeyDQSIDBIOGCBDQZ-CQSZACIVSA-N
MW363.42 g/mol
LogP0.12
Rot. Bonds7

About 3-(3,5-dimethylpyrazol-1-yl)-1-[(2R)-2-[1-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]propan-1-one

3-(3,5-dimethylpyrazol-1-yl)-1-[(2R)-2-[1-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]propan-1-one (PubChem CID 124750662) has the molecular formula C16H25N7O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is 3-(3,5-dimethylpyrazol-1-yl)-1-[(2R)-2-[1-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]propan-1-one.

Molecular Properties

Compound Name3-(3,5-dimethylpyrazol-1-yl)-1-[(2R)-2-[1-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]propan-1-one
PubChem CID124750662
Molecular FormulaC16H25N7O3
Molecular Weight363.42 g/mol
Exact Mass363.20
IUPAC Name3-(3,5-dimethylpyrazol-1-yl)-1-[(2R)-2-[1-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]propan-1-one
SMILESCOCCn1nnnc1[C@H]1CN(C(=O)CCn2nc(C)cc2C)CCO1
InChIInChI=1S/C16H25N7O3/c1-12-10-13(2)22(18-12)5-4-15(24)21-6-9-26-14(11-21)16-17-19-20-23(16)7-8-25-3/h10,14H,4-9,11H2,1-3H3/t14-/m1/s1
InChIKeyDQSIDBIOGCBDQZ-CQSZACIVSA-N
XLogP0.12
TPSA100.19 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 50.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

(2,7-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)-[(2S)-2-[1-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]methanone
CID 99933795
1-[2-[1-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]-2-pyridin-3-ylethanone
CID 118778786
2-(2,4-dimethyl-1,3-thiazol-5-yl)-1-[2-[1-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]ethanone
CID 74243081
1-[(2R)-2-[1-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]-3-methyl-3-phenylbutan-1-one
CID 99932469
1-[(2R)-2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-4-(3,5-dimethylpyrazol-1-yl)butan-1-one
CID 124968411
(2R)-2-[1-(2-methoxyethyl)tetrazol-5-yl]-4-[2-(3-methylpyrazol-1-yl)ethyl]morpholine
CID 124755660
4-(3,5-dimethylpyrazol-1-yl)-1-[(2R)-2-pyrazin-2-ylmorpholin-4-yl]butan-1-one
CID 124983863
4-(3,5-dimethylpyrazol-1-yl)-1-[(2S)-2-(4-methylpyrimidin-2-yl)morpholin-4-yl]butan-1-one
CID 124974362
1-(2,3-dihydroindol-1-yl)-2-[(2R)-2-[1-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]ethanone
CID 124754682
3-[2-[2-[1-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]ethyl]-6-methyl-1H-pyrimidine-2,4-dione
CID 91836283
3-methoxy-1-[(2S)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]propan-1-one
CID 124943373
2-(3,5-dimethylpyrazol-1-yl)-1-[(2S)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]ethanone
CID 124943524

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-1-[(2R)-2-[1-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]propan-1-one?
The IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-1-[(2R)-2-[1-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]propan-1-one (CID 124750662) is 3-(3,5-dimethylpyrazol-1-yl)-1-[(2R)-2-[1-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]propan-1-one.
What is the SMILES notation for 3-(3,5-dimethylpyrazol-1-yl)-1-[(2R)-2-[1-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]propan-1-one?
The canonical SMILES for 3-(3,5-dimethylpyrazol-1-yl)-1-[(2R)-2-[1-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]propan-1-one is COCCn1nnnc1[C@H]1CN(C(=O)CCn2nc(C)cc2C)CCO1.
What is the InChIKey of 3-(3,5-dimethylpyrazol-1-yl)-1-[(2R)-2-[1-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]propan-1-one?
The InChIKey is DQSIDBIOGCBDQZ-CQSZACIVSA-N. The full InChI is InChI=1S/C16H25N7O3/c1-12-10-13(2)22(18-12)5-4-15(24)21-6-9-26-14(11-21)16-17-19-20-23(16)7-8-25-3/h10,14H,4-9,11H2,1-3H3/t14-/m1/s1.
What are the key properties of 3-(3,5-dimethylpyrazol-1-yl)-1-[(2R)-2-[1-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]propan-1-one?
3-(3,5-dimethylpyrazol-1-yl)-1-[(2R)-2-[1-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]propan-1-one has a molecular weight of 363.42 g/mol, XLogP of 0.12, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylpyrazol-1-yl)-1-[(2R)-2-[1-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]propan-1-one is sourced from PubChem (CID 124750662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).