3-[(2S,4R)-1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methoxypyrrolidin-2-yl]-5-methyl-1H-1,2,4-triazole

C15H24N6O — CID 128980073

IUPAC3-[(2S,4R)-1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methoxypyrrolidin-2-yl]-5-methyl-1H-1,2,4-triazole
SMILESCCc1nn(C)cc1CN1C[C@H](OC)C[C@H]1c1n[nH]c(C)n1
InChIInChI=1S/C15H24N6O/c1-5-13-11(7-20(3)19-13)8-21-9-12(22-4)6-14(21)15-16-10(2)17-18-15/h7,12,14H,5-6,8-9H2,1-4H3,(H,16,17,18)/t12-,14+/m1/s1
InChIKeyJOGBZSMTKHODLL-OCCSQVGLSA-N
MW304.40 g/mol
LogP1.37
Rot. Bonds5

About 3-[(2S,4R)-1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methoxypyrrolidin-2-yl]-5-methyl-1H-1,2,4-triazole

3-[(2S,4R)-1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methoxypyrrolidin-2-yl]-5-methyl-1H-1,2,4-triazole (PubChem CID 128980073) has the molecular formula C15H24N6O and a molecular weight of 304.40 g/mol. Its IUPAC name is 3-[(2S,4R)-1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methoxypyrrolidin-2-yl]-5-methyl-1H-1,2,4-triazole.

Molecular Properties

Compound Name3-[(2S,4R)-1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methoxypyrrolidin-2-yl]-5-methyl-1H-1,2,4-triazole
PubChem CID128980073
Molecular FormulaC15H24N6O
Molecular Weight304.40 g/mol
Exact Mass304.20
IUPAC Name3-[(2S,4R)-1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methoxypyrrolidin-2-yl]-5-methyl-1H-1,2,4-triazole
SMILESCCc1nn(C)cc1CN1C[C@H](OC)C[C@H]1c1n[nH]c(C)n1
InChIInChI=1S/C15H24N6O/c1-5-13-11(7-20(3)19-13)8-21-9-12(22-4)6-14(21)15-16-10(2)17-18-15/h7,12,14H,5-6,8-9H2,1-4H3,(H,16,17,18)/t12-,14+/m1/s1
InChIKeyJOGBZSMTKHODLL-OCCSQVGLSA-N
XLogP1.37
TPSA71.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(2S,4R)-1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methoxypyrrolidin-2-yl]methanol
CID 128980119
4-fluoro-2-[[(2S,4R)-4-methoxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methyl]benzonitrile
CID 128982694
3-[[(2S,4R)-4-methoxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methyl]-5,7-dimethylimidazo[1,2-a]pyrimidine
CID 128980032
2-ethyl-4-[(2S,4R)-4-methoxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-6-methylpyrimidine
CID 128975809
3-(4-fluorophenyl)-1-[(2S,4R)-4-methoxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]propan-1-one
CID 128985133
4-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-methyl-1H-1,2,4-triazole-5-thione
CID 112670972
3-cyclopropyl-5-[(2S,4R)-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-methoxypyrrolidin-2-yl]-1H-1,2,4-triazole
CID 128982778
[(2S,4R)-4-methoxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 128985134
(3S)-1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-methylpiperazine
CID 103918004
5-[(2S,4R)-4-methoxy-1-(naphthalen-1-ylmethyl)pyrrolidin-2-yl]-1H-1,2,4-triazole
CID 128979976
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methoxypyrrolidine-2-carboxamide
CID 112669300
3-[[(2S,4R)-2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-4-methoxypyrrolidin-1-yl]methyl]-5-ethyl-1,2,4-oxadiazole
CID 128982818

Frequently Asked Questions

What is the IUPAC name of 3-[(2S,4R)-1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methoxypyrrolidin-2-yl]-5-methyl-1H-1,2,4-triazole?
The IUPAC name of 3-[(2S,4R)-1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methoxypyrrolidin-2-yl]-5-methyl-1H-1,2,4-triazole (CID 128980073) is 3-[(2S,4R)-1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methoxypyrrolidin-2-yl]-5-methyl-1H-1,2,4-triazole.
What is the SMILES notation for 3-[(2S,4R)-1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methoxypyrrolidin-2-yl]-5-methyl-1H-1,2,4-triazole?
The canonical SMILES for 3-[(2S,4R)-1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methoxypyrrolidin-2-yl]-5-methyl-1H-1,2,4-triazole is CCc1nn(C)cc1CN1C[C@H](OC)C[C@H]1c1n[nH]c(C)n1.
What is the InChIKey of 3-[(2S,4R)-1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methoxypyrrolidin-2-yl]-5-methyl-1H-1,2,4-triazole?
The InChIKey is JOGBZSMTKHODLL-OCCSQVGLSA-N. The full InChI is InChI=1S/C15H24N6O/c1-5-13-11(7-20(3)19-13)8-21-9-12(22-4)6-14(21)15-16-10(2)17-18-15/h7,12,14H,5-6,8-9H2,1-4H3,(H,16,17,18)/t12-,14+/m1/s1.
What are the key properties of 3-[(2S,4R)-1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methoxypyrrolidin-2-yl]-5-methyl-1H-1,2,4-triazole?
3-[(2S,4R)-1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methoxypyrrolidin-2-yl]-5-methyl-1H-1,2,4-triazole has a molecular weight of 304.40 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S,4R)-1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methoxypyrrolidin-2-yl]-5-methyl-1H-1,2,4-triazole is sourced from PubChem (CID 128980073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).