2-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethylamino]-N-[(2-methoxyphenyl)methyl]acetamide

C22H25FN4O2 — CID 75444197

IUPAC2-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethylamino]-N-[(2-methoxyphenyl)methyl]acetamide
SMILESCOc1ccccc1CNC(=O)CNC(C)c1cnn(-c2ccc(F)cc2)c1C
InChIInChI=1S/C22H25FN4O2/c1-15(20-13-26-27(16(20)2)19-10-8-18(23)9-11-19)24-14-22(28)25-12-17-6-4-5-7-21(17)29-3/h4-11,13,15,24H,12,14H2,1-3H3,(H,25,28)
InChIKeyCZIYRNXHDZWNGV-UHFFFAOYSA-N
MW396.47 g/mol
LogP3.30
Rot. Bonds8

About 2-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethylamino]-N-[(2-methoxyphenyl)methyl]acetamide

2-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethylamino]-N-[(2-methoxyphenyl)methyl]acetamide (PubChem CID 75444197) has the molecular formula C22H25FN4O2 and a molecular weight of 396.47 g/mol. Its IUPAC name is 2-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethylamino]-N-[(2-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethylamino]-N-[(2-methoxyphenyl)methyl]acetamide
PubChem CID75444197
Molecular FormulaC22H25FN4O2
Molecular Weight396.47 g/mol
Exact Mass396.20
IUPAC Name2-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethylamino]-N-[(2-methoxyphenyl)methyl]acetamide
SMILESCOc1ccccc1CNC(=O)CNC(C)c1cnn(-c2ccc(F)cc2)c1C
InChIInChI=1S/C22H25FN4O2/c1-15(20-13-26-27(16(20)2)19-10-8-18(23)9-11-19)24-14-22(28)25-12-17-6-4-5-7-21(17)29-3/h4-11,13,15,24H,12,14H2,1-3H3,(H,25,28)
InChIKeyCZIYRNXHDZWNGV-UHFFFAOYSA-N
XLogP3.30
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2-methoxyphenyl)methyl]-3-[(1R)-1-[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]ethyl]urea
CID 38221139
N-ethyl-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethanamine
CID 61273138
(2S)-N-[2-[[(1S)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]amino]-2-oxoethyl]-2-methylbutanamide
CID 52523483
(2S)-N-[2-[[(1R)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]amino]-2-oxoethyl]-2-methylbutanamide
CID 52523485
2-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-N-[(2-methoxyphenyl)methyl]quinoline-4-carboxamide
CID 50779202
2-(5-fluoro-2-methylphenyl)-N-[(1R)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]acetamide
CID 97152826
(1S)-1-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 25277206
(1S)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-N-(pyridin-2-ylmethyl)ethanamine
CID 94962214
(1R)-N-[(2,5-dimethoxyphenyl)methyl]-1-(5-methyl-1-phenylpyrazol-4-yl)ethanamine
CID 51902743
2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 9335503
2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 8917972
2-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 808183

Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethylamino]-N-[(2-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethylamino]-N-[(2-methoxyphenyl)methyl]acetamide (CID 75444197) is 2-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethylamino]-N-[(2-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethylamino]-N-[(2-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethylamino]-N-[(2-methoxyphenyl)methyl]acetamide is COc1ccccc1CNC(=O)CNC(C)c1cnn(-c2ccc(F)cc2)c1C.
What is the InChIKey of 2-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethylamino]-N-[(2-methoxyphenyl)methyl]acetamide?
The InChIKey is CZIYRNXHDZWNGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4O2/c1-15(20-13-26-27(16(20)2)19-10-8-18(23)9-11-19)24-14-22(28)25-12-17-6-4-5-7-21(17)29-3/h4-11,13,15,24H,12,14H2,1-3H3,(H,25,28).
What are the key properties of 2-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethylamino]-N-[(2-methoxyphenyl)methyl]acetamide?
2-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethylamino]-N-[(2-methoxyphenyl)methyl]acetamide has a molecular weight of 396.47 g/mol, XLogP of 3.30, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethylamino]-N-[(2-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 75444197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).