2-(4-ethylpiperazin-1-yl)-N-[(1R)-1-[1-(2-fluorophenyl)pyrazol-4-yl]ethyl]acetamide

C19H26FN5O — CID 125176662

IUPAC2-(4-ethylpiperazin-1-yl)-N-[(1R)-1-[1-(2-fluorophenyl)pyrazol-4-yl]ethyl]acetamide
SMILESCCN1CCN(CC(=O)N[C@H](C)c2cnn(-c3ccccc3F)c2)CC1
InChIInChI=1S/C19H26FN5O/c1-3-23-8-10-24(11-9-23)14-19(26)22-15(2)16-12-21-25(13-16)18-7-5-4-6-17(18)20/h4-7,12-13,15H,3,8-11,14H2,1-2H3,(H,22,26)/t15-/m1/s1
InChIKeyQROPGOKLYQPFOX-OAHLLOKOSA-N
MW359.45 g/mol
LogP1.83
Rot. Bonds6

About 2-(4-ethylpiperazin-1-yl)-N-[(1R)-1-[1-(2-fluorophenyl)pyrazol-4-yl]ethyl]acetamide

2-(4-ethylpiperazin-1-yl)-N-[(1R)-1-[1-(2-fluorophenyl)pyrazol-4-yl]ethyl]acetamide (PubChem CID 125176662) has the molecular formula C19H26FN5O and a molecular weight of 359.45 g/mol. Its IUPAC name is 2-(4-ethylpiperazin-1-yl)-N-[(1R)-1-[1-(2-fluorophenyl)pyrazol-4-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-(4-ethylpiperazin-1-yl)-N-[(1R)-1-[1-(2-fluorophenyl)pyrazol-4-yl]ethyl]acetamide
PubChem CID125176662
Molecular FormulaC19H26FN5O
Molecular Weight359.45 g/mol
Exact Mass359.21
IUPAC Name2-(4-ethylpiperazin-1-yl)-N-[(1R)-1-[1-(2-fluorophenyl)pyrazol-4-yl]ethyl]acetamide
SMILESCCN1CCN(CC(=O)N[C@H](C)c2cnn(-c3ccccc3F)c2)CC1
InChIInChI=1S/C19H26FN5O/c1-3-23-8-10-24(11-9-23)14-19(26)22-15(2)16-12-21-25(13-16)18-7-5-4-6-17(18)20/h4-7,12-13,15H,3,8-11,14H2,1-2H3,(H,22,26)/t15-/m1/s1
InChIKeyQROPGOKLYQPFOX-OAHLLOKOSA-N
XLogP1.83
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(cyclopropylmethylsulfanyl)-N-[(1S)-1-[1-(2-fluorophenyl)pyrazol-4-yl]ethyl]acetamide
CID 126438730
N-[(1S)-1-[1-(2-fluorophenyl)pyrazol-4-yl]ethyl]-3-oxo-4-propylpiperazine-1-carboxamide
CID 125447213
N-[1-[1-(2-fluorophenyl)pyrazol-4-yl]ethyl]-4-methoxypiperidine-1-carboxamide
CID 122570470
N-[(1S)-1-[1-(2-fluorophenyl)pyrazol-4-yl]ethyl]-2-methoxy-2-methylpropanamide
CID 125170397
1-[(1S)-1-[1-(2-fluorophenyl)pyrazol-4-yl]ethyl]-3-[(1-hydroxycyclohexyl)methyl]urea
CID 125441973
1-cyclopropyl-3-[(1R)-1-[1-(2-fluorophenyl)pyrazol-4-yl]ethyl]-1-[(1-methylpyrazol-4-yl)methyl]urea
CID 125439921
1-(1-ethylpiperidin-4-yl)-3-[(1S)-1-[1-(2-methoxyphenyl)pyrazol-4-yl]ethyl]-1-methylurea
CID 125444228
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 60512330
1-[1-(2-fluorophenyl)pyrazol-4-yl]propan-1-one
CID 134608302
N-[1-(4-fluorophenyl)ethyl]-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 55353743
N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-1-(2-fluorophenyl)pyrazole-4-carboxamide
CID 94828484
N-[1-(1-benzylpyrazol-4-yl)ethyl]-4-ethylpiperazine-1-carboxamide
CID 75390241

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylpiperazin-1-yl)-N-[(1R)-1-[1-(2-fluorophenyl)pyrazol-4-yl]ethyl]acetamide?
The IUPAC name of 2-(4-ethylpiperazin-1-yl)-N-[(1R)-1-[1-(2-fluorophenyl)pyrazol-4-yl]ethyl]acetamide (CID 125176662) is 2-(4-ethylpiperazin-1-yl)-N-[(1R)-1-[1-(2-fluorophenyl)pyrazol-4-yl]ethyl]acetamide.
What is the SMILES notation for 2-(4-ethylpiperazin-1-yl)-N-[(1R)-1-[1-(2-fluorophenyl)pyrazol-4-yl]ethyl]acetamide?
The canonical SMILES for 2-(4-ethylpiperazin-1-yl)-N-[(1R)-1-[1-(2-fluorophenyl)pyrazol-4-yl]ethyl]acetamide is CCN1CCN(CC(=O)N[C@H](C)c2cnn(-c3ccccc3F)c2)CC1.
What is the InChIKey of 2-(4-ethylpiperazin-1-yl)-N-[(1R)-1-[1-(2-fluorophenyl)pyrazol-4-yl]ethyl]acetamide?
The InChIKey is QROPGOKLYQPFOX-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H26FN5O/c1-3-23-8-10-24(11-9-23)14-19(26)22-15(2)16-12-21-25(13-16)18-7-5-4-6-17(18)20/h4-7,12-13,15H,3,8-11,14H2,1-2H3,(H,22,26)/t15-/m1/s1.
What are the key properties of 2-(4-ethylpiperazin-1-yl)-N-[(1R)-1-[1-(2-fluorophenyl)pyrazol-4-yl]ethyl]acetamide?
2-(4-ethylpiperazin-1-yl)-N-[(1R)-1-[1-(2-fluorophenyl)pyrazol-4-yl]ethyl]acetamide has a molecular weight of 359.45 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylpiperazin-1-yl)-N-[(1R)-1-[1-(2-fluorophenyl)pyrazol-4-yl]ethyl]acetamide is sourced from PubChem (CID 125176662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).