[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-[3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]methanone

C20H21N5O4 — CID 90636842

IUPAC[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-[3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]methanone
SMILESCOc1cccc(-c2cc(C(=O)N3CCC(Oc4nccnc4OC)C3)[nH]n2)c1
InChIInChI=1S/C20H21N5O4/c1-27-14-5-3-4-13(10-14)16-11-17(24-23-16)20(26)25-9-6-15(12-25)29-19-18(28-2)21-7-8-22-19/h3-5,7-8,10-11,15H,6,9,12H2,1-2H3,(H,23,24)
InChIKeyDWNPENLQKQDPAD-UHFFFAOYSA-N
MW395.42 g/mol
LogP2.18
Rot. Bonds6

About [3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-[3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]methanone

[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-[3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]methanone (PubChem CID 90636842) has the molecular formula C20H21N5O4 and a molecular weight of 395.42 g/mol. Its IUPAC name is [3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-[3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-[3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]methanone
PubChem CID90636842
Molecular FormulaC20H21N5O4
Molecular Weight395.42 g/mol
Exact Mass395.16
IUPAC Name[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-[3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]methanone
SMILESCOc1cccc(-c2cc(C(=O)N3CCC(Oc4nccnc4OC)C3)[nH]n2)c1
InChIInChI=1S/C20H21N5O4/c1-27-14-5-3-4-13(10-14)16-11-17(24-23-16)20(26)25-9-6-15(12-25)29-19-18(28-2)21-7-8-22-19/h3-5,7-8,10-11,15H,6,9,12H2,1-2H3,(H,23,24)
InChIKeyDWNPENLQKQDPAD-UHFFFAOYSA-N
XLogP2.18
TPSA102.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone
CID 90636845
3-[1-[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 90636459
[3-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-[3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]methanone
CID 90637026
(4-aminopiperidin-1-yl)-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]methanone
CID 66485063
[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120997868
[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone
CID 90639018
[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 70749061
[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 20906512
3-[1-[3-(3,4,5-trimethoxyphenyl)-1H-pyrazole-5-carbonyl]pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 90636629
ethyl 1-[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]piperidine-4-carboxylate
CID 20918297
[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-[(3S)-3-(3-methylphenyl)piperidin-1-yl]methanone
CID 97124854
(4-chlorophenyl)-[4-[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]methanone
CID 20910980

Frequently Asked Questions

What is the IUPAC name of [3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-[3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]methanone?
The IUPAC name of [3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-[3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]methanone (CID 90636842) is [3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-[3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]methanone.
What is the SMILES notation for [3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-[3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]methanone?
The canonical SMILES for [3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-[3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]methanone is COc1cccc(-c2cc(C(=O)N3CCC(Oc4nccnc4OC)C3)[nH]n2)c1.
What is the InChIKey of [3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-[3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]methanone?
The InChIKey is DWNPENLQKQDPAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O4/c1-27-14-5-3-4-13(10-14)16-11-17(24-23-16)20(26)25-9-6-15(12-25)29-19-18(28-2)21-7-8-22-19/h3-5,7-8,10-11,15H,6,9,12H2,1-2H3,(H,23,24).
What are the key properties of [3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-[3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]methanone?
[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-[3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]methanone has a molecular weight of 395.42 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-[3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]methanone is sourced from PubChem (CID 90636842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).