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

C28H36FN5O3 — CID 46079285

IUPACN-[[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-N-(2-methoxyethyl)-2-phenoxyacetamide
SMILESCCN1CCN(c2c(CN(CCOC)C(=O)COc3ccccc3)c(C)nn2-c2cccc(F)c2)CC1
InChIInChI=1S/C28H36FN5O3/c1-4-31-13-15-32(16-14-31)28-26(22(2)30-34(28)24-10-8-9-23(29)19-24)20-33(17-18-36-3)27(35)21-37-25-11-6-5-7-12-25/h5-12,19H,4,13-18,20-21H2,1-3H3
InChIKeySQPQDLBTQSRUSA-UHFFFAOYSA-N
MW509.63 g/mol
LogP3.52
Rot. Bonds11

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

N-[[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-N-(2-methoxyethyl)-2-phenoxyacetamide (PubChem CID 46079285) has the molecular formula C28H36FN5O3 and a molecular weight of 509.63 g/mol. Its IUPAC name is N-[[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-N-(2-methoxyethyl)-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-N-(2-methoxyethyl)-2-phenoxyacetamide
PubChem CID46079285
Molecular FormulaC28H36FN5O3
Molecular Weight509.63 g/mol
Exact Mass509.28
IUPAC NameN-[[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-N-(2-methoxyethyl)-2-phenoxyacetamide
SMILESCCN1CCN(c2c(CN(CCOC)C(=O)COc3ccccc3)c(C)nn2-c2cccc(F)c2)CC1
InChIInChI=1S/C28H36FN5O3/c1-4-31-13-15-32(16-14-31)28-26(22(2)30-34(28)24-10-8-9-23(29)19-24)20-33(17-18-36-3)27(35)21-37-25-11-6-5-7-12-25/h5-12,19H,4,13-18,20-21H2,1-3H3
InChIKeySQPQDLBTQSRUSA-UHFFFAOYSA-N
XLogP3.52
TPSA63.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.63
LogP ≤ 53.52
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-phenoxyacetamide 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

1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)phenyl]urea
CID 10972838
(2S)-24-(azetidin-1-yl)-11-fluoro-18,21-dimethyl-15-oxa-7,18,21,25,27,28-hexazapentacyclo[24.2.1.02,7.09,14.022,27]nonacosa-1(28),9(14),10,12,22,24,26(29)-heptaene-8,17-dione
CID 154969863
N-(5-methyl-2-phenyl-3-pyrazolyl)-2-phenoxyacetamide
CID 2310735
N-[3-(2-fluorophenyl)-1-phenyl-1H-pyrazol-5-yl]-2-(4-methoxyphenoxy)acetamide
CID 16030775
N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-[2-methylpropyl-(2-phenoxyacetyl)amino]acetamide
CID 42733093
1-[2-(2,3-dihydro-1,4-benzoxazin-4-ylmethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]ethanone
CID 122195725
2-(2-fluorophenoxy)-N-[3-(3-methylphenyl)-1-phenyl-1H-pyrazol-5-yl]acetamide
CID 16030752
N-[3-(2-fluorophenyl)-1-phenyl-1H-pyrazol-5-yl]-2-(3-methylphenoxy)acetamide
CID 16030773
N-[3-(2-fluorophenyl)-1-phenyl-1H-pyrazol-5-yl]-2-phenoxybutanamide
CID 16030787
N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide
CID 16324760
1-[2-(phenoxymethyl)-5-phenyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]ethanone
CID 122195727
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-(3-fluorophenoxy)acetamide
CID 9194398

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-phenoxyacetamide?
The IUPAC name of N-[[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-N-(2-methoxyethyl)-2-phenoxyacetamide (CID 46079285) is N-[[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-N-(2-methoxyethyl)-2-phenoxyacetamide.
What is the SMILES notation for N-[[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-N-(2-methoxyethyl)-2-phenoxyacetamide?
The canonical SMILES for N-[[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-N-(2-methoxyethyl)-2-phenoxyacetamide is CCN1CCN(c2c(CN(CCOC)C(=O)COc3ccccc3)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-phenoxyacetamide?
The InChIKey is SQPQDLBTQSRUSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36FN5O3/c1-4-31-13-15-32(16-14-31)28-26(22(2)30-34(28)24-10-8-9-23(29)19-24)20-33(17-18-36-3)27(35)21-37-25-11-6-5-7-12-25/h5-12,19H,4,13-18,20-21H2,1-3H3.
What are the key properties of N-[[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-N-(2-methoxyethyl)-2-phenoxyacetamide?
N-[[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-N-(2-methoxyethyl)-2-phenoxyacetamide has a molecular weight of 509.63 g/mol, XLogP of 3.52, 11 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-phenoxyacetamide is sourced from PubChem (CID 46079285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).