2-(4-fluorophenoxy)-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]acetamide

C18H19FN4O2 — CID 90620524

IUPAC2-(4-fluorophenoxy)-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]acetamide
SMILESCc1cc2ncc(CCCNC(=O)COc3ccc(F)cc3)cn2n1
InChIInChI=1S/C18H19FN4O2/c1-13-9-17-21-10-14(11-23(17)22-13)3-2-8-20-18(24)12-25-16-6-4-15(19)5-7-16/h4-7,9-11H,2-3,8,12H2,1H3,(H,20,24)
InChIKeyWDVVSUZKLGOAAT-UHFFFAOYSA-N
MW342.37 g/mol
LogP2.30
Rot. Bonds7

About 2-(4-fluorophenoxy)-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]acetamide

2-(4-fluorophenoxy)-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]acetamide (PubChem CID 90620524) has the molecular formula C18H19FN4O2 and a molecular weight of 342.37 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]acetamide
PubChem CID90620524
Molecular FormulaC18H19FN4O2
Molecular Weight342.37 g/mol
Exact Mass342.15
IUPAC Name2-(4-fluorophenoxy)-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]acetamide
SMILESCc1cc2ncc(CCCNC(=O)COc3ccc(F)cc3)cn2n1
InChIInChI=1S/C18H19FN4O2/c1-13-9-17-21-10-14(11-23(17)22-13)3-2-8-20-18(24)12-25-16-6-4-15(19)5-7-16/h4-7,9-11H,2-3,8,12H2,1H3,(H,20,24)
InChIKeyWDVVSUZKLGOAAT-UHFFFAOYSA-N
XLogP2.30
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]propanamide
CID 90620689
2-benzylsulfanyl-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]acetamide
CID 90620539
N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]-2-naphthalen-1-ylacetamide
CID 90620692
N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]-2-pyrazol-1-ylacetamide
CID 90620641
N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide
CID 73168295
1-(2-ethoxyphenyl)-3-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]urea
CID 90620739
N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]-3-(4-nitrophenyl)propanamide
CID 90620614
2,4-dichloro-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]benzamide
CID 90620671
2-(4-fluorophenoxy)-N-[3-(methylamino)propyl]acetamide;hydrochloride
CID 119429392
2-ethyl-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]-1,3-benzothiazole-6-carboxamide
CID 90620616
N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]-4-piperidin-1-ylsulfonylbenzamide
CID 90620708
N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]-2-(4-fluorophenoxy)acetamide
CID 122289605

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]acetamide?
The IUPAC name of 2-(4-fluorophenoxy)-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]acetamide (CID 90620524) is 2-(4-fluorophenoxy)-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenoxy)-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]acetamide?
The canonical SMILES for 2-(4-fluorophenoxy)-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]acetamide is Cc1cc2ncc(CCCNC(=O)COc3ccc(F)cc3)cn2n1.
What is the InChIKey of 2-(4-fluorophenoxy)-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]acetamide?
The InChIKey is WDVVSUZKLGOAAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O2/c1-13-9-17-21-10-14(11-23(17)22-13)3-2-8-20-18(24)12-25-16-6-4-15(19)5-7-16/h4-7,9-11H,2-3,8,12H2,1H3,(H,20,24).
What are the key properties of 2-(4-fluorophenoxy)-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]acetamide?
2-(4-fluorophenoxy)-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]acetamide has a molecular weight of 342.37 g/mol, XLogP of 2.30, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]acetamide is sourced from PubChem (CID 90620524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).