5-fluoro-2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-4-pyrrolidin-1-ylpyrimidine

C19H20FN5O — CID 74251099

IUPAC5-fluoro-2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-4-pyrrolidin-1-ylpyrimidine
SMILESCOc1ccc(Cn2cc(-c3ncc(F)c(N4CCCC4)n3)cn2)cc1
InChIInChI=1S/C19H20FN5O/c1-26-16-6-4-14(5-7-16)12-25-13-15(10-22-25)18-21-11-17(20)19(23-18)24-8-2-3-9-24/h4-7,10-11,13H,2-3,8-9,12H2,1H3
InChIKeyJHZGKAMDOVTSPP-UHFFFAOYSA-N
MW353.40 g/mol
LogP3.14
Rot. Bonds5

About 5-fluoro-2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-4-pyrrolidin-1-ylpyrimidine

5-fluoro-2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-4-pyrrolidin-1-ylpyrimidine (PubChem CID 74251099) has the molecular formula C19H20FN5O and a molecular weight of 353.40 g/mol. Its IUPAC name is 5-fluoro-2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-4-pyrrolidin-1-ylpyrimidine.

Molecular Properties

Compound Name5-fluoro-2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-4-pyrrolidin-1-ylpyrimidine
PubChem CID74251099
Molecular FormulaC19H20FN5O
Molecular Weight353.40 g/mol
Exact Mass353.17
IUPAC Name5-fluoro-2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-4-pyrrolidin-1-ylpyrimidine
SMILESCOc1ccc(Cn2cc(-c3ncc(F)c(N4CCCC4)n3)cn2)cc1
InChIInChI=1S/C19H20FN5O/c1-26-16-6-4-14(5-7-16)12-25-13-15(10-22-25)18-21-11-17(20)19(23-18)24-8-2-3-9-24/h4-7,10-11,13H,2-3,8-9,12H2,1H3
InChIKeyJHZGKAMDOVTSPP-UHFFFAOYSA-N
XLogP3.14
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-4-pyrrolidin-1-ylpyrimidine?
The IUPAC name of 5-fluoro-2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-4-pyrrolidin-1-ylpyrimidine (CID 74251099) is 5-fluoro-2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-4-pyrrolidin-1-ylpyrimidine.
What is the SMILES notation for 5-fluoro-2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-4-pyrrolidin-1-ylpyrimidine?
The canonical SMILES for 5-fluoro-2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-4-pyrrolidin-1-ylpyrimidine is COc1ccc(Cn2cc(-c3ncc(F)c(N4CCCC4)n3)cn2)cc1.
What is the InChIKey of 5-fluoro-2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-4-pyrrolidin-1-ylpyrimidine?
The InChIKey is JHZGKAMDOVTSPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5O/c1-26-16-6-4-14(5-7-16)12-25-13-15(10-22-25)18-21-11-17(20)19(23-18)24-8-2-3-9-24/h4-7,10-11,13H,2-3,8-9,12H2,1H3.
What are the key properties of 5-fluoro-2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-4-pyrrolidin-1-ylpyrimidine?
5-fluoro-2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-4-pyrrolidin-1-ylpyrimidine has a molecular weight of 353.40 g/mol, XLogP of 3.14, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-4-pyrrolidin-1-ylpyrimidine is sourced from PubChem (CID 74251099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).