[1-(4-fluorophenyl)-5-methylpyrazol-3-yl]-(3-pyridin-3-yloxypyrrolidin-1-yl)methanone

C20H19FN4O2 — CID 126792647

IUPAC[1-(4-fluorophenyl)-5-methylpyrazol-3-yl]-(3-pyridin-3-yloxypyrrolidin-1-yl)methanone
SMILESCc1cc(C(=O)N2CCC(Oc3cccnc3)C2)nn1-c1ccc(F)cc1
InChIInChI=1S/C20H19FN4O2/c1-14-11-19(23-25(14)16-6-4-15(21)5-7-16)20(26)24-10-8-18(13-24)27-17-3-2-9-22-12-17/h2-7,9,11-12,18H,8,10,13H2,1H3
InChIKeyCTHSRLXRUGCPSK-UHFFFAOYSA-N
MW366.40 g/mol
LogP3.01
Rot. Bonds4

About [1-(4-fluorophenyl)-5-methylpyrazol-3-yl]-(3-pyridin-3-yloxypyrrolidin-1-yl)methanone

[1-(4-fluorophenyl)-5-methylpyrazol-3-yl]-(3-pyridin-3-yloxypyrrolidin-1-yl)methanone (PubChem CID 126792647) has the molecular formula C20H19FN4O2 and a molecular weight of 366.40 g/mol. Its IUPAC name is [1-(4-fluorophenyl)-5-methylpyrazol-3-yl]-(3-pyridin-3-yloxypyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[1-(4-fluorophenyl)-5-methylpyrazol-3-yl]-(3-pyridin-3-yloxypyrrolidin-1-yl)methanone
PubChem CID126792647
Molecular FormulaC20H19FN4O2
Molecular Weight366.40 g/mol
Exact Mass366.15
IUPAC Name[1-(4-fluorophenyl)-5-methylpyrazol-3-yl]-(3-pyridin-3-yloxypyrrolidin-1-yl)methanone
SMILESCc1cc(C(=O)N2CCC(Oc3cccnc3)C2)nn1-c1ccc(F)cc1
InChIInChI=1S/C20H19FN4O2/c1-14-11-19(23-25(14)16-6-4-15(21)5-7-16)20(26)24-10-8-18(13-24)27-17-3-2-9-22-12-17/h2-7,9,11-12,18H,8,10,13H2,1H3
InChIKeyCTHSRLXRUGCPSK-UHFFFAOYSA-N
XLogP3.01
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-pyridin-3-yloxypyrrolidin-1-yl)ethanone
CID 59581393
pyridin-4-yl-(3-pyridin-3-yloxypyrrolidin-1-yl)methanone
CID 110876433
[1-(4-fluorophenyl)-5-methylpyrazol-3-yl]-piperazin-1-ylmethanone
CID 154744491
2-oxo-2-(3-pyridin-3-yloxypyrrolidin-1-yl)acetamide
CID 175996540
(2R)-2-amino-1-[(3R)-3-pyridin-3-yloxypyrrolidin-1-yl]propan-1-one
CID 124593054
3,9-diazabicyclo[4.2.1]nonan-3-yl-(5-methyl-1-phenylpyrazol-3-yl)methanone
CID 119636938
[1-(4-fluorophenyl)-5-pyridin-3-ylpyrazol-3-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 46323923
2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-1-[(3R)-3-pyridin-3-yloxypyrrolidin-1-yl]ethanone
CID 99715277
N-[2-[(4-fluorophenyl)methyl]pyrazol-3-yl]-3-pyridin-3-yloxypyrrolidine-1-carboxamide
CID 75524666
[5-methyl-1-(4-methylphenyl)pyrazol-3-yl]-(3-methylpiperidin-1-yl)methanone
CID 110372815
[3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 119100397
[4-(3-fluorophenoxy)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 95811364

Frequently Asked Questions

What is the IUPAC name of [1-(4-fluorophenyl)-5-methylpyrazol-3-yl]-(3-pyridin-3-yloxypyrrolidin-1-yl)methanone?
The IUPAC name of [1-(4-fluorophenyl)-5-methylpyrazol-3-yl]-(3-pyridin-3-yloxypyrrolidin-1-yl)methanone (CID 126792647) is [1-(4-fluorophenyl)-5-methylpyrazol-3-yl]-(3-pyridin-3-yloxypyrrolidin-1-yl)methanone.
What is the SMILES notation for [1-(4-fluorophenyl)-5-methylpyrazol-3-yl]-(3-pyridin-3-yloxypyrrolidin-1-yl)methanone?
The canonical SMILES for [1-(4-fluorophenyl)-5-methylpyrazol-3-yl]-(3-pyridin-3-yloxypyrrolidin-1-yl)methanone is Cc1cc(C(=O)N2CCC(Oc3cccnc3)C2)nn1-c1ccc(F)cc1.
What is the InChIKey of [1-(4-fluorophenyl)-5-methylpyrazol-3-yl]-(3-pyridin-3-yloxypyrrolidin-1-yl)methanone?
The InChIKey is CTHSRLXRUGCPSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O2/c1-14-11-19(23-25(14)16-6-4-15(21)5-7-16)20(26)24-10-8-18(13-24)27-17-3-2-9-22-12-17/h2-7,9,11-12,18H,8,10,13H2,1H3.
What are the key properties of [1-(4-fluorophenyl)-5-methylpyrazol-3-yl]-(3-pyridin-3-yloxypyrrolidin-1-yl)methanone?
[1-(4-fluorophenyl)-5-methylpyrazol-3-yl]-(3-pyridin-3-yloxypyrrolidin-1-yl)methanone has a molecular weight of 366.40 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluorophenyl)-5-methylpyrazol-3-yl]-(3-pyridin-3-yloxypyrrolidin-1-yl)methanone is sourced from PubChem (CID 126792647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).