N-[[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-N-(2-methoxyethyl)-2-phenylmethoxyacetamide

C29H38FN5O3 — CID 46079297

IUPACN-[[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-N-(2-methoxyethyl)-2-phenylmethoxyacetamide
SMILESCCN1CCN(c2c(CN(CCOC)C(=O)COCc3ccccc3)c(C)nn2-c2cccc(F)c2)CC1
InChIInChI=1S/C29H38FN5O3/c1-4-32-13-15-33(16-14-32)29-27(23(2)31-35(29)26-12-8-11-25(30)19-26)20-34(17-18-37-3)28(36)22-38-21-24-9-6-5-7-10-24/h5-12,19H,4,13-18,20-22H2,1-3H3
InChIKeyKQRYRHHAEIDSPM-UHFFFAOYSA-N
MW523.65 g/mol
LogP3.65
Rot. Bonds12

About N-[[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-N-(2-methoxyethyl)-2-phenylmethoxyacetamide

N-[[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-N-(2-methoxyethyl)-2-phenylmethoxyacetamide (PubChem CID 46079297) has the molecular formula C29H38FN5O3 and a molecular weight of 523.65 g/mol. Its IUPAC name is N-[[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-N-(2-methoxyethyl)-2-phenylmethoxyacetamide.

Molecular Properties

Compound NameN-[[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-N-(2-methoxyethyl)-2-phenylmethoxyacetamide
PubChem CID46079297
Molecular FormulaC29H38FN5O3
Molecular Weight523.65 g/mol
Exact Mass523.30
IUPAC NameN-[[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-N-(2-methoxyethyl)-2-phenylmethoxyacetamide
SMILESCCN1CCN(c2c(CN(CCOC)C(=O)COCc3ccccc3)c(C)nn2-c2cccc(F)c2)CC1
InChIInChI=1S/C29H38FN5O3/c1-4-32-13-15-33(16-14-32)29-27(23(2)31-35(29)26-12-8-11-25(30)19-26)20-34(17-18-37-3)28(36)22-38-21-24-9-6-5-7-10-24/h5-12,19H,4,13-18,20-22H2,1-3H3
InChIKeyKQRYRHHAEIDSPM-UHFFFAOYSA-N
XLogP3.65
TPSA63.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.65
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-[[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-N-(2-methoxyethyl)-2-phenylmethoxyacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4Z)-2-(4-fluorophenyl)-4-[(3-methyl-1-phenyl-5-pyrrolidin-1-ylpyrazol-4-yl)methylidene]-1,3-oxazol-5-one
CID 2327951
N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-2-[2-methoxyethyl-(2-phenylmethoxyacetyl)amino]acetamide
CID 45488376
N-({[1-(4-Fluorophenyl)-3-phenyl-1H-pyrazol-5-YL]carbamoyl}methyl)-2-phenoxy-N-propylacetamide
CID 1062374
2-[benzyl-(2-phenylmethoxyacetyl)amino]-N-[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]acetamide
CID 3943622
2-(Benzyloxy)-N-({[1-(4-fluorophenyl)-3-phenyl-1H-pyrazol-5-YL]carbamoyl}methyl)-N-(2-methylpropyl)acetamide
CID 4422967
1-[4-[2-(3-Fluorophenyl)-6-methylpyrimidin-4-yl]piperazin-1-yl]-2-phenylmethoxyethanone
CID 42802680
2-(Benzyloxy)-1-{4-[1-(4-fluorophenyl)-3-methyl-6-propyl-1H-pyrazolo[3,4-D]pyrimidin-4-YL]piperazin-1-YL}ethan-1-one
CID 45968374
2-(Benzyloxy)-1-{4-[1-(4-fluorophenyl)-3-methyl-6-[(4-methylphenyl)methyl]-1H-pyrazolo[3,4-D]pyrimidin-4-YL]-1,4-diazepan-1-YL}ethan-1-one
CID 45968748
2-(Benzyloxy)-1-{4-[1-(4-fluorophenyl)-3-methyl-6-(3-methylbutyl)-1H-pyrazolo[3,4-D]pyrimidin-4-YL]piperazin-1-YL}ethan-1-one
CID 45968800
N-{[1-(3-Fluorophenyl)-3-methyl-5-(4-methylpiperazin-1-YL)-1H-pyrazol-4-YL]methyl}-N-(2-methoxyethyl)-3,3-dimethylbutanamide
CID 46078927
N-{[5-(4-Ethylpiperazin-1-YL)-1-(3-fluorophenyl)-3-methyl-1H-pyrazol-4-YL]methyl}-2-methoxy-N-(2-methylpropyl)acetamide
CID 46078980
N-{[5-(4-Ethylpiperazin-1-YL)-1-(3-fluorophenyl)-3-methyl-1H-pyrazol-4-YL]methyl}-N-(2-methoxyethyl)-2-phenoxyacetamide
CID 46079285

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-N-(2-methoxyethyl)-2-phenylmethoxyacetamide?
The IUPAC name of N-[[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-N-(2-methoxyethyl)-2-phenylmethoxyacetamide (CID 46079297) is N-[[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-N-(2-methoxyethyl)-2-phenylmethoxyacetamide.
What is the SMILES notation for N-[[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-N-(2-methoxyethyl)-2-phenylmethoxyacetamide?
The canonical SMILES for N-[[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-N-(2-methoxyethyl)-2-phenylmethoxyacetamide is CCN1CCN(c2c(CN(CCOC)C(=O)COCc3ccccc3)c(C)nn2-c2cccc(F)c2)CC1.
What is the InChIKey of N-[[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-N-(2-methoxyethyl)-2-phenylmethoxyacetamide?
The InChIKey is KQRYRHHAEIDSPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38FN5O3/c1-4-32-13-15-33(16-14-32)29-27(23(2)31-35(29)26-12-8-11-25(30)19-26)20-34(17-18-37-3)28(36)22-38-21-24-9-6-5-7-10-24/h5-12,19H,4,13-18,20-22H2,1-3H3.
What are the key properties of N-[[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-N-(2-methoxyethyl)-2-phenylmethoxyacetamide?
N-[[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-N-(2-methoxyethyl)-2-phenylmethoxyacetamide has a molecular weight of 523.65 g/mol, XLogP of 3.65, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-N-(2-methoxyethyl)-2-phenylmethoxyacetamide is sourced from PubChem (CID 46079297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).