3-[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-5-propyl-1,2-oxazole

C20H23FN4O — CID 50809604

IUPAC3-[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-5-propyl-1,2-oxazole
SMILESCCCc1cc(C2CCCN2Cc2cn[nH]c2-c2ccc(F)cc2)no1
InChIInChI=1S/C20H23FN4O/c1-2-4-17-11-18(24-26-17)19-5-3-10-25(19)13-15-12-22-23-20(15)14-6-8-16(21)9-7-14/h6-9,11-12,19H,2-5,10,13H2,1H3,(H,22,23)
InChIKeyZEEMNEWKUIODBZ-UHFFFAOYSA-N
MW354.43 g/mol
LogP4.49
Rot. Bonds6

About 3-[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-5-propyl-1,2-oxazole

3-[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-5-propyl-1,2-oxazole (PubChem CID 50809604) has the molecular formula C20H23FN4O and a molecular weight of 354.43 g/mol. Its IUPAC name is 3-[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-5-propyl-1,2-oxazole.

Molecular Properties

Compound Name3-[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-5-propyl-1,2-oxazole
PubChem CID50809604
Molecular FormulaC20H23FN4O
Molecular Weight354.43 g/mol
Exact Mass354.19
IUPAC Name3-[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-5-propyl-1,2-oxazole
SMILESCCCc1cc(C2CCCN2Cc2cn[nH]c2-c2ccc(F)cc2)no1
InChIInChI=1S/C20H23FN4O/c1-2-4-17-11-18(24-26-17)19-5-3-10-25(19)13-15-12-22-23-20(15)14-6-8-16(21)9-7-14/h6-9,11-12,19H,2-5,10,13H2,1H3,(H,22,23)
InChIKeyZEEMNEWKUIODBZ-UHFFFAOYSA-N
XLogP4.49
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-5-propyl-1,2-oxazole?
The IUPAC name of 3-[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-5-propyl-1,2-oxazole (CID 50809604) is 3-[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-5-propyl-1,2-oxazole.
What is the SMILES notation for 3-[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-5-propyl-1,2-oxazole?
The canonical SMILES for 3-[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-5-propyl-1,2-oxazole is CCCc1cc(C2CCCN2Cc2cn[nH]c2-c2ccc(F)cc2)no1.
What is the InChIKey of 3-[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-5-propyl-1,2-oxazole?
The InChIKey is ZEEMNEWKUIODBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O/c1-2-4-17-11-18(24-26-17)19-5-3-10-25(19)13-15-12-22-23-20(15)14-6-8-16(21)9-7-14/h6-9,11-12,19H,2-5,10,13H2,1H3,(H,22,23).
What are the key properties of 3-[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-5-propyl-1,2-oxazole?
3-[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-5-propyl-1,2-oxazole has a molecular weight of 354.43 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-5-propyl-1,2-oxazole is sourced from PubChem (CID 50809604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).