N-(3-fluoropyrrolidin-1-yl)-N-[2-[3-(1-methylpyrazol-4-yl)phenoxy]ethyl]acetamide

C18H23FN4O2 — CID 173044783

IUPACN-(3-fluoropyrrolidin-1-yl)-N-[2-[3-(1-methylpyrazol-4-yl)phenoxy]ethyl]acetamide
SMILESCC(=O)N(CCOc1cccc(-c2cnn(C)c2)c1)N1CCC(F)C1
InChIInChI=1S/C18H23FN4O2/c1-14(24)23(22-7-6-17(19)13-22)8-9-25-18-5-3-4-15(10-18)16-11-20-21(2)12-16/h3-5,10-12,17H,6-9,13H2,1-2H3
InChIKeyOFZVNMKDBDKMMD-UHFFFAOYSA-N
MW346.41 g/mol
LogP2.27
Rot. Bonds6

About N-(3-fluoropyrrolidin-1-yl)-N-[2-[3-(1-methylpyrazol-4-yl)phenoxy]ethyl]acetamide

N-(3-fluoropyrrolidin-1-yl)-N-[2-[3-(1-methylpyrazol-4-yl)phenoxy]ethyl]acetamide (PubChem CID 173044783) has the molecular formula C18H23FN4O2 and a molecular weight of 346.41 g/mol. Its IUPAC name is N-(3-fluoropyrrolidin-1-yl)-N-[2-[3-(1-methylpyrazol-4-yl)phenoxy]ethyl]acetamide.

Molecular Properties

Compound NameN-(3-fluoropyrrolidin-1-yl)-N-[2-[3-(1-methylpyrazol-4-yl)phenoxy]ethyl]acetamide
PubChem CID173044783
Molecular FormulaC18H23FN4O2
Molecular Weight346.41 g/mol
Exact Mass346.18
IUPAC NameN-(3-fluoropyrrolidin-1-yl)-N-[2-[3-(1-methylpyrazol-4-yl)phenoxy]ethyl]acetamide
SMILESCC(=O)N(CCOc1cccc(-c2cnn(C)c2)c1)N1CCC(F)C1
InChIInChI=1S/C18H23FN4O2/c1-14(24)23(22-7-6-17(19)13-22)8-9-25-18-5-3-4-15(10-18)16-11-20-21(2)12-16/h3-5,10-12,17H,6-9,13H2,1-2H3
InChIKeyOFZVNMKDBDKMMD-UHFFFAOYSA-N
XLogP2.27
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3R)-3-fluoropyrrolidin-1-yl]-N-[2-[3-(1-methylpyrazol-4-yl)phenoxy]ethyl]acetamide
CID 90926280
2-[(3S)-3-fluoropyrrolidin-1-yl]-N-[2-[3-(1-methylpyrazol-4-yl)phenoxy]ethyl]acetamide
CID 91251709
2-(4-methylpiperidin-1-yl)-N-[2-[3-(1-methylpyrazol-4-yl)phenoxy]ethyl]acetamide
CID 91532617
1-[(4-methylpiperidin-1-yl)amino]-4-[3-(1-methylpyrazol-4-yl)phenoxy]butan-2-one
CID 91386780
2-[3-(1-methylpyrazol-4-yl)phenoxy]-1-morpholin-4-ylethanone
CID 91027875
N-methyl-2-[3-(1-methylpyrazol-4-yl)phenoxy]acetamide
CID 91246967
N-[2-[3-(1-methylpyrazol-4-yl)phenoxy]ethyl]-1,2-oxazole-5-carboxamide
CID 91386336
N-[2-[3-(1-methylpyrazol-4-yl)phenoxy]ethyl]-2-oxo-3-pyrrolidin-1-ylpropanamide
CID 173096263
(2R)-4,4-difluoro-1-methyl-N-[2-[3-(1-methylpyrazol-4-yl)phenoxy]ethyl]pyrrolidine-2-carboxamide
CID 91157958
1-methyl-N-[1-[3-(1-methylpyrazol-4-yl)phenoxy]propan-2-yl]pyrrolidine-2-carboxamide
CID 173052460
(2S,4S)-4-hydroxy-N-[2-[3-(1-methylpyrazol-4-yl)phenoxy]ethyl]pyrrolidine-2-carboxamide
CID 91237486
1-methyl-4-[3-[[(2R)-pyrrolidin-2-yl]methoxy]phenyl]pyrazole
CID 91112359

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoropyrrolidin-1-yl)-N-[2-[3-(1-methylpyrazol-4-yl)phenoxy]ethyl]acetamide?
The IUPAC name of N-(3-fluoropyrrolidin-1-yl)-N-[2-[3-(1-methylpyrazol-4-yl)phenoxy]ethyl]acetamide (CID 173044783) is N-(3-fluoropyrrolidin-1-yl)-N-[2-[3-(1-methylpyrazol-4-yl)phenoxy]ethyl]acetamide.
What is the SMILES notation for N-(3-fluoropyrrolidin-1-yl)-N-[2-[3-(1-methylpyrazol-4-yl)phenoxy]ethyl]acetamide?
The canonical SMILES for N-(3-fluoropyrrolidin-1-yl)-N-[2-[3-(1-methylpyrazol-4-yl)phenoxy]ethyl]acetamide is CC(=O)N(CCOc1cccc(-c2cnn(C)c2)c1)N1CCC(F)C1.
What is the InChIKey of N-(3-fluoropyrrolidin-1-yl)-N-[2-[3-(1-methylpyrazol-4-yl)phenoxy]ethyl]acetamide?
The InChIKey is OFZVNMKDBDKMMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O2/c1-14(24)23(22-7-6-17(19)13-22)8-9-25-18-5-3-4-15(10-18)16-11-20-21(2)12-16/h3-5,10-12,17H,6-9,13H2,1-2H3.
What are the key properties of N-(3-fluoropyrrolidin-1-yl)-N-[2-[3-(1-methylpyrazol-4-yl)phenoxy]ethyl]acetamide?
N-(3-fluoropyrrolidin-1-yl)-N-[2-[3-(1-methylpyrazol-4-yl)phenoxy]ethyl]acetamide has a molecular weight of 346.41 g/mol, XLogP of 2.27, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoropyrrolidin-1-yl)-N-[2-[3-(1-methylpyrazol-4-yl)phenoxy]ethyl]acetamide is sourced from PubChem (CID 173044783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).