5-[[3-[5-[(2-fluorophenoxy)methyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]-2-methyl-1,3-thiazole

C19H21FN4OS — CID 127249568

IUPAC5-[[3-[5-[(2-fluorophenoxy)methyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]-2-methyl-1,3-thiazole
SMILESCc1ncc(CN2CCC(c3cc(COc4ccccc4F)[nH]n3)C2)s1
InChIInChI=1S/C19H21FN4OS/c1-13-21-9-16(26-13)11-24-7-6-14(10-24)18-8-15(22-23-18)12-25-19-5-3-2-4-17(19)20/h2-5,8-9,14H,6-7,10-12H2,1H3,(H,22,23)
InChIKeyVJXOYXDQFYSJDQ-UHFFFAOYSA-N
MW372.47 g/mol
LogP3.88
Rot. Bonds6

About 5-[[3-[5-[(2-fluorophenoxy)methyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]-2-methyl-1,3-thiazole

5-[[3-[5-[(2-fluorophenoxy)methyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]-2-methyl-1,3-thiazole (PubChem CID 127249568) has the molecular formula C19H21FN4OS and a molecular weight of 372.47 g/mol. Its IUPAC name is 5-[[3-[5-[(2-fluorophenoxy)methyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-[[3-[5-[(2-fluorophenoxy)methyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]-2-methyl-1,3-thiazole
PubChem CID127249568
Molecular FormulaC19H21FN4OS
Molecular Weight372.47 g/mol
Exact Mass372.14
IUPAC Name5-[[3-[5-[(2-fluorophenoxy)methyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]-2-methyl-1,3-thiazole
SMILESCc1ncc(CN2CCC(c3cc(COc4ccccc4F)[nH]n3)C2)s1
InChIInChI=1S/C19H21FN4OS/c1-13-21-9-16(26-13)11-24-7-6-14(10-24)18-8-15(22-23-18)12-25-19-5-3-2-4-17(19)20/h2-5,8-9,14H,6-7,10-12H2,1H3,(H,22,23)
InChIKeyVJXOYXDQFYSJDQ-UHFFFAOYSA-N
XLogP3.88
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[3-[5-[(2-fluorophenoxy)methyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]-2-methyl-1,3-thiazole?
The IUPAC name of 5-[[3-[5-[(2-fluorophenoxy)methyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]-2-methyl-1,3-thiazole (CID 127249568) is 5-[[3-[5-[(2-fluorophenoxy)methyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 5-[[3-[5-[(2-fluorophenoxy)methyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]-2-methyl-1,3-thiazole?
The canonical SMILES for 5-[[3-[5-[(2-fluorophenoxy)methyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]-2-methyl-1,3-thiazole is Cc1ncc(CN2CCC(c3cc(COc4ccccc4F)[nH]n3)C2)s1.
What is the InChIKey of 5-[[3-[5-[(2-fluorophenoxy)methyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]-2-methyl-1,3-thiazole?
The InChIKey is VJXOYXDQFYSJDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4OS/c1-13-21-9-16(26-13)11-24-7-6-14(10-24)18-8-15(22-23-18)12-25-19-5-3-2-4-17(19)20/h2-5,8-9,14H,6-7,10-12H2,1H3,(H,22,23).
What are the key properties of 5-[[3-[5-[(2-fluorophenoxy)methyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]-2-methyl-1,3-thiazole?
5-[[3-[5-[(2-fluorophenoxy)methyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]-2-methyl-1,3-thiazole has a molecular weight of 372.47 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-[5-[(2-fluorophenoxy)methyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 127249568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).