N,N-diethyl-2-[4-[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]piperazin-1-yl]-2-phenylacetamide

C26H32FN5O — CID 58055778

IUPACN,N-diethyl-2-[4-[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]piperazin-1-yl]-2-phenylacetamide
SMILESCCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(-c3cnn(C)c3)cc2F)CC1
InChIInChI=1S/C26H32FN5O/c1-4-30(5-2)26(33)25(20-9-7-6-8-10-20)32-15-13-31(14-16-32)24-12-11-21(17-23(24)27)22-18-28-29(3)19-22/h6-12,17-19,25H,4-5,13-16H2,1-3H3
InChIKeyJDWIIAKYRZTKOX-UHFFFAOYSA-N
MW449.57 g/mol
LogP3.96
Rot. Bonds7

About N,N-diethyl-2-[4-[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]piperazin-1-yl]-2-phenylacetamide

N,N-diethyl-2-[4-[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]piperazin-1-yl]-2-phenylacetamide (PubChem CID 58055778) has the molecular formula C26H32FN5O and a molecular weight of 449.57 g/mol. Its IUPAC name is N,N-diethyl-2-[4-[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]piperazin-1-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[4-[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]piperazin-1-yl]-2-phenylacetamide
PubChem CID58055778
Molecular FormulaC26H32FN5O
Molecular Weight449.57 g/mol
Exact Mass449.26
IUPAC NameN,N-diethyl-2-[4-[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]piperazin-1-yl]-2-phenylacetamide
SMILESCCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(-c3cnn(C)c3)cc2F)CC1
InChIInChI=1S/C26H32FN5O/c1-4-30(5-2)26(33)25(20-9-7-6-8-10-20)32-15-13-31(14-16-32)24-12-11-21(17-23(24)27)22-18-28-29(3)19-22/h6-12,17-19,25H,4-5,13-16H2,1-3H3
InChIKeyJDWIIAKYRZTKOX-UHFFFAOYSA-N
XLogP3.96
TPSA44.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.57
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

CID 155557232
CID 155557232
2-(1,3-Diphenylpyrazol-4-yl)-1-piperidin-1-ylethanone
CID 4799063
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CID 24819297
1-(4-Fluorophenyl)-2-[4-(1-methyl-1H-pyrazole-3-carbonyl)-piperazin-1-yl]ethanone
CID 24811854
N,N-diethyl-2-[4-(2-fluoro-4-pyridin-3-ylphenyl)piperazin-1-yl]-2-phenylacetamide
CID 42643943
1-(4-Benzoyl-2-methylpiperazin-1-yl)-2-[4-(1-methylpyrazol-4-yl)phenyl]ethane-1,2-dione
CID 44191530
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CID 46900277
N,N-diethyl-2-[4-[2-fluoro-4-(5-methyl-1H-pyrazol-3-yl)phenyl]piperazin-1-yl]-2-phenylacetamide
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CID 73353422
1-[4-[4-[4-[[2-aminoethyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenyl]piperazin-1-yl]-2-phenylethanone
CID 117671051
1-[(2S)-4-(cyclopropanecarbonyl)-2-methyl-6-(1-propan-2-ylpyrazol-4-yl)-2,3-dihydroquinoxalin-1-yl]ethanone
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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[4-[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]piperazin-1-yl]-2-phenylacetamide?
The IUPAC name of N,N-diethyl-2-[4-[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]piperazin-1-yl]-2-phenylacetamide (CID 58055778) is N,N-diethyl-2-[4-[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]piperazin-1-yl]-2-phenylacetamide.
What is the SMILES notation for N,N-diethyl-2-[4-[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]piperazin-1-yl]-2-phenylacetamide?
The canonical SMILES for N,N-diethyl-2-[4-[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]piperazin-1-yl]-2-phenylacetamide is CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(-c3cnn(C)c3)cc2F)CC1.
What is the InChIKey of N,N-diethyl-2-[4-[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]piperazin-1-yl]-2-phenylacetamide?
The InChIKey is JDWIIAKYRZTKOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32FN5O/c1-4-30(5-2)26(33)25(20-9-7-6-8-10-20)32-15-13-31(14-16-32)24-12-11-21(17-23(24)27)22-18-28-29(3)19-22/h6-12,17-19,25H,4-5,13-16H2,1-3H3.
What are the key properties of N,N-diethyl-2-[4-[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]piperazin-1-yl]-2-phenylacetamide?
N,N-diethyl-2-[4-[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]piperazin-1-yl]-2-phenylacetamide has a molecular weight of 449.57 g/mol, XLogP of 3.96, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[4-[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]piperazin-1-yl]-2-phenylacetamide is sourced from PubChem (CID 58055778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).