N-[2-[4-(4-fluorophenyl)-3-(1-methylimidazol-2-yl)pyrazol-1-yl]ethyl]-2-(2-methoxy-5-methylphenyl)acetamide

C25H26FN5O2 — CID 92556179

IUPACN-[2-[4-(4-fluorophenyl)-3-(1-methylimidazol-2-yl)pyrazol-1-yl]ethyl]-2-(2-methoxy-5-methylphenyl)acetamide
SMILESCOc1ccc(C)cc1CC(=O)NCCn1cc(-c2ccc(F)cc2)c(-c2nccn2C)n1
InChIInChI=1S/C25H26FN5O2/c1-17-4-9-22(33-3)19(14-17)15-23(32)27-11-13-31-16-21(18-5-7-20(26)8-6-18)24(29-31)25-28-10-12-30(25)2/h4-10,12,14,16H,11,13,15H2,1-3H3,(H,27,32)
InChIKeyBGBBIPACQRJSGO-UHFFFAOYSA-N
MW447.51 g/mol
LogP3.77
Rot. Bonds8

About N-[2-[4-(4-fluorophenyl)-3-(1-methylimidazol-2-yl)pyrazol-1-yl]ethyl]-2-(2-methoxy-5-methylphenyl)acetamide

N-[2-[4-(4-fluorophenyl)-3-(1-methylimidazol-2-yl)pyrazol-1-yl]ethyl]-2-(2-methoxy-5-methylphenyl)acetamide (PubChem CID 92556179) has the molecular formula C25H26FN5O2 and a molecular weight of 447.51 g/mol. Its IUPAC name is N-[2-[4-(4-fluorophenyl)-3-(1-methylimidazol-2-yl)pyrazol-1-yl]ethyl]-2-(2-methoxy-5-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[2-[4-(4-fluorophenyl)-3-(1-methylimidazol-2-yl)pyrazol-1-yl]ethyl]-2-(2-methoxy-5-methylphenyl)acetamide
PubChem CID92556179
Molecular FormulaC25H26FN5O2
Molecular Weight447.51 g/mol
Exact Mass447.21
IUPAC NameN-[2-[4-(4-fluorophenyl)-3-(1-methylimidazol-2-yl)pyrazol-1-yl]ethyl]-2-(2-methoxy-5-methylphenyl)acetamide
SMILESCOc1ccc(C)cc1CC(=O)NCCn1cc(-c2ccc(F)cc2)c(-c2nccn2C)n1
InChIInChI=1S/C25H26FN5O2/c1-17-4-9-22(33-3)19(14-17)15-23(32)27-11-13-31-16-21(18-5-7-20(26)8-6-18)24(29-31)25-28-10-12-30(25)2/h4-10,12,14,16H,11,13,15H2,1-3H3,(H,27,32)
InChIKeyBGBBIPACQRJSGO-UHFFFAOYSA-N
XLogP3.77
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.51
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[4-(4-fluorophenyl)-3-(1-methylimidazol-2-yl)pyrazol-1-yl]ethyl]-2-(4-methylphenyl)acetamide
CID 92557814
N-[2-[4-(4-fluorophenyl)-3-(1-methylimidazol-2-yl)pyrazol-1-yl]ethyl]-2-pyridin-3-ylacetamide
CID 95850905
N-[2-[4-(4-fluorophenyl)-5-(1-methylimidazol-2-yl)pyrazol-1-yl]ethyl]-2-(2-methoxyphenyl)acetamide
CID 92567615
2-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]acetic acid
CID 43241710
4-fluoro-N'-[2-(2-methoxy-5-methylphenyl)acetyl]benzohydrazide
CID 9038094
2-(2-methoxy-5-methylphenyl)-N-[2-(3-pyrrolidin-3-ylpyrazolo[3,4-b]pyridin-1-yl)ethyl]acetamide
CID 110242113
1-[2-methoxy-5-(1-methylimidazol-2-yl)phenyl]-N-methylmethanamine
CID 63976635
N-[4-[3-(4-fluorophenyl)-1-(2-methoxyethyl)pyrazol-4-yl]-2-pyridinyl]propanamide
CID 67073655
2-(2-methoxy-5-methylphenyl)-N-(1H-pyrazol-5-ylmethyl)acetamide
CID 60976765
5-fluoro-2-methoxy-N-[3-(1-methylimidazol-2-yl)phenyl]benzamide
CID 136578547
2-(2,5-dimethoxyphenyl)-N-[4-(4-methylphenoxy)butyl]acetamide
CID 78882858
2-(2-methoxy-5-methylphenyl)-N-methylacetamide
CID 39969431

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-fluorophenyl)-3-(1-methylimidazol-2-yl)pyrazol-1-yl]ethyl]-2-(2-methoxy-5-methylphenyl)acetamide?
The IUPAC name of N-[2-[4-(4-fluorophenyl)-3-(1-methylimidazol-2-yl)pyrazol-1-yl]ethyl]-2-(2-methoxy-5-methylphenyl)acetamide (CID 92556179) is N-[2-[4-(4-fluorophenyl)-3-(1-methylimidazol-2-yl)pyrazol-1-yl]ethyl]-2-(2-methoxy-5-methylphenyl)acetamide.
What is the SMILES notation for N-[2-[4-(4-fluorophenyl)-3-(1-methylimidazol-2-yl)pyrazol-1-yl]ethyl]-2-(2-methoxy-5-methylphenyl)acetamide?
The canonical SMILES for N-[2-[4-(4-fluorophenyl)-3-(1-methylimidazol-2-yl)pyrazol-1-yl]ethyl]-2-(2-methoxy-5-methylphenyl)acetamide is COc1ccc(C)cc1CC(=O)NCCn1cc(-c2ccc(F)cc2)c(-c2nccn2C)n1.
What is the InChIKey of N-[2-[4-(4-fluorophenyl)-3-(1-methylimidazol-2-yl)pyrazol-1-yl]ethyl]-2-(2-methoxy-5-methylphenyl)acetamide?
The InChIKey is BGBBIPACQRJSGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN5O2/c1-17-4-9-22(33-3)19(14-17)15-23(32)27-11-13-31-16-21(18-5-7-20(26)8-6-18)24(29-31)25-28-10-12-30(25)2/h4-10,12,14,16H,11,13,15H2,1-3H3,(H,27,32).
What are the key properties of N-[2-[4-(4-fluorophenyl)-3-(1-methylimidazol-2-yl)pyrazol-1-yl]ethyl]-2-(2-methoxy-5-methylphenyl)acetamide?
N-[2-[4-(4-fluorophenyl)-3-(1-methylimidazol-2-yl)pyrazol-1-yl]ethyl]-2-(2-methoxy-5-methylphenyl)acetamide has a molecular weight of 447.51 g/mol, XLogP of 3.77, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-fluorophenyl)-3-(1-methylimidazol-2-yl)pyrazol-1-yl]ethyl]-2-(2-methoxy-5-methylphenyl)acetamide is sourced from PubChem (CID 92556179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).