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

C25H32FN5O2S — CID 46170243

IUPACN-[[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-N-(2-methoxyethyl)thiophene-2-carboxamide
SMILESCCN1CCN(c2c(CN(CCOC)C(=O)c3cccs3)c(C)nn2-c2cccc(F)c2)CC1
InChIInChI=1S/C25H32FN5O2S/c1-4-28-10-12-29(13-11-28)24-22(19(2)27-31(24)21-8-5-7-20(26)17-21)18-30(14-15-33-3)25(32)23-9-6-16-34-23/h5-9,16-17H,4,10-15,18H2,1-3H3
InChIKeyRTGYEVISCDMMFM-UHFFFAOYSA-N
MW485.63 g/mol
LogP3.81
Rot. Bonds9

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

N-[[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-N-(2-methoxyethyl)thiophene-2-carboxamide (PubChem CID 46170243) has the molecular formula C25H32FN5O2S and a molecular weight of 485.63 g/mol. Its IUPAC name is N-[[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-N-(2-methoxyethyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-N-(2-methoxyethyl)thiophene-2-carboxamide
PubChem CID46170243
Molecular FormulaC25H32FN5O2S
Molecular Weight485.63 g/mol
Exact Mass485.23
IUPAC NameN-[[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-N-(2-methoxyethyl)thiophene-2-carboxamide
SMILESCCN1CCN(c2c(CN(CCOC)C(=O)c3cccs3)c(C)nn2-c2cccc(F)c2)CC1
InChIInChI=1S/C25H32FN5O2S/c1-4-28-10-12-29(13-11-28)24-22(19(2)27-31(24)21-8-5-7-20(26)17-21)18-30(14-15-33-3)25(32)23-9-6-16-34-23/h5-9,16-17H,4,10-15,18H2,1-3H3
InChIKeyRTGYEVISCDMMFM-UHFFFAOYSA-N
XLogP3.81
TPSA53.84 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.63
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-{4-[(4-methyl-1-piperazinyl)carbonyl]-1-phenyl-1H-pyrazol-5-yl}-2-thiophenecarboxamide
CID 1350909
US10577360, Example 115
CID 132035759
(4-(6-(3,5-dimethyl-1H-pyrazol-1-yl)pyridazin-3-yl)piperazin-1-yl)(thiophen-2-yl)methanone
CID 25668046
N-[[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-N-(thiophen-3-ylmethyl)propan-2-amine
CID 42690237
{[5-(4-Ethylpiperazin-1-YL)-1-(3-fluorophenyl)-3-propyl-1H-pyrazol-4-YL]methyl}[(3-methylthiophen-2-YL)methyl]propylamine
CID 42690463
N-{[1-(3-Fluorophenyl)-3-methyl-5-(4-methylpiperazin-1-YL)-1H-pyrazol-4-YL]methyl}-N-(3-methylbutyl)-2-(phenylsulfanyl)acetamide
CID 42877699
3-tert-butyl-1-(4-fluorophenyl)-8-(2-morpholin-4-yl-2-oxoethyl)-4-thiophen-3-yl-4H-pyrazolo[5,4-e][1,4]thiazepin-7-one
CID 45974240
N-{[1-(3-Fluorophenyl)-3-methyl-5-(4-methylpiperazin-1-YL)-1H-pyrazol-4-YL]methyl}-N-(3-methylbutyl)-2-(thiophen-2-YL)acetamide
CID 46080380
N-[[3-ethyl-1-(4-fluorophenyl)-5-(4-propan-2-ylpiperazin-1-yl)pyrazol-4-yl]methyl]-N-(2-methylpropyl)-2-thiophen-2-ylacetamide
CID 46080637
N-[[3-ethyl-1-(4-fluorophenyl)-5-(4-propan-2-ylpiperazin-1-yl)pyrazol-4-yl]methyl]-N-propylthiophene-2-carboxamide
CID 46080666
N-[[1-(3-fluorophenyl)-3-methyl-5-(4-methylpiperazin-1-yl)pyrazol-4-yl]methyl]-N-(2-methoxyethyl)-2-thiophen-2-ylacetamide
CID 46169982
1-(4-Fluorophenyl)-3,7-dimethyl-4-oxo-N-[(thiophen-2-YL)methyl]-1H,4H,7H-pyrazolo[3,4-B]pyridine-5-carboxamide
CID 46387142

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)thiophene-2-carboxamide?
The IUPAC name of N-[[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-N-(2-methoxyethyl)thiophene-2-carboxamide (CID 46170243) is N-[[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-N-(2-methoxyethyl)thiophene-2-carboxamide.
What is the SMILES notation for N-[[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-N-(2-methoxyethyl)thiophene-2-carboxamide?
The canonical SMILES for N-[[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-N-(2-methoxyethyl)thiophene-2-carboxamide is CCN1CCN(c2c(CN(CCOC)C(=O)c3cccs3)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)thiophene-2-carboxamide?
The InChIKey is RTGYEVISCDMMFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32FN5O2S/c1-4-28-10-12-29(13-11-28)24-22(19(2)27-31(24)21-8-5-7-20(26)17-21)18-30(14-15-33-3)25(32)23-9-6-16-34-23/h5-9,16-17H,4,10-15,18H2,1-3H3.
What are the key properties of N-[[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-N-(2-methoxyethyl)thiophene-2-carboxamide?
N-[[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-N-(2-methoxyethyl)thiophene-2-carboxamide has a molecular weight of 485.63 g/mol, XLogP of 3.81, 9 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)thiophene-2-carboxamide is sourced from PubChem (CID 46170243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).