[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]methanone

C20H20N4O2 — CID 97145859

IUPAC[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]methanone
SMILESCOc1cccc(-c2[nH]ncc2C(=O)N2CCC[C@H]2c2cccnc2)c1
InChIInChI=1S/C20H20N4O2/c1-26-16-7-2-5-14(11-16)19-17(13-22-23-19)20(25)24-10-4-8-18(24)15-6-3-9-21-12-15/h2-3,5-7,9,11-13,18H,4,8,10H2,1H3,(H,22,23)/t18-/m0/s1
InChIKeyVJFOSSWTSHSBCI-SFHVURJKSA-N
MW348.41 g/mol
LogP3.46
Rot. Bonds4

About [5-(3-methoxyphenyl)-1H-pyrazol-4-yl]-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]methanone

[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]methanone (PubChem CID 97145859) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is [5-(3-methoxyphenyl)-1H-pyrazol-4-yl]-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]methanone
PubChem CID97145859
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]methanone
SMILESCOc1cccc(-c2[nH]ncc2C(=O)N2CCC[C@H]2c2cccnc2)c1
InChIInChI=1S/C20H20N4O2/c1-26-16-7-2-5-14(11-16)19-17(13-22-23-19)20(25)24-10-4-8-18(24)15-6-3-9-21-12-15/h2-3,5-7,9,11-13,18H,4,8,10H2,1H3,(H,22,23)/t18-/m0/s1
InChIKeyVJFOSSWTSHSBCI-SFHVURJKSA-N
XLogP3.46
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]methanone
CID 97145858
(3,5-dimethoxyphenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 110867000
(5-cyclohexyl-1H-pyrazol-4-yl)-(2-pyridin-3-ylpiperidin-1-yl)methanone
CID 74246122
(4-aminopiperidin-1-yl)-[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methanone
CID 139023916
(2-methylphenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 110871555
[2-(2-aminoethoxy)-4-methoxyphenyl]-(2-pyridin-3-ylpiperidin-1-yl)methanone
CID 118786072
[2-(3-methoxyphenyl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 42934876
(5-bromo-2-methylphenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 65311628
(6-methoxy-1H-indol-2-yl)-[(2S)-2-pyridin-3-ylpiperidin-1-yl]methanone
CID 7070196
[(3S,4R)-4-amino-3-methoxypiperidin-1-yl]-[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methanone
CID 56872933
[(3aS,6aS)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methanone
CID 70780400
(2-methoxyphenyl)-[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 78834014

Frequently Asked Questions

What is the IUPAC name of [5-(3-methoxyphenyl)-1H-pyrazol-4-yl]-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]methanone?
The IUPAC name of [5-(3-methoxyphenyl)-1H-pyrazol-4-yl]-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]methanone (CID 97145859) is [5-(3-methoxyphenyl)-1H-pyrazol-4-yl]-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]methanone.
What is the SMILES notation for [5-(3-methoxyphenyl)-1H-pyrazol-4-yl]-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]methanone?
The canonical SMILES for [5-(3-methoxyphenyl)-1H-pyrazol-4-yl]-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]methanone is COc1cccc(-c2[nH]ncc2C(=O)N2CCC[C@H]2c2cccnc2)c1.
What is the InChIKey of [5-(3-methoxyphenyl)-1H-pyrazol-4-yl]-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]methanone?
The InChIKey is VJFOSSWTSHSBCI-SFHVURJKSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-26-16-7-2-5-14(11-16)19-17(13-22-23-19)20(25)24-10-4-8-18(24)15-6-3-9-21-12-15/h2-3,5-7,9,11-13,18H,4,8,10H2,1H3,(H,22,23)/t18-/m0/s1.
What are the key properties of [5-(3-methoxyphenyl)-1H-pyrazol-4-yl]-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]methanone?
[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]methanone has a molecular weight of 348.41 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-methoxyphenyl)-1H-pyrazol-4-yl]-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 97145859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).