5-ethyl-1-(4-methylphenyl)-N-[[4-(2-methylpropanoylamino)phenyl]methyl]pyrazole-4-carboxamide

C24H28N4O2 — CID 55576435

IUPAC5-ethyl-1-(4-methylphenyl)-N-[[4-(2-methylpropanoylamino)phenyl]methyl]pyrazole-4-carboxamide
SMILESCCc1c(C(=O)NCc2ccc(NC(=O)C(C)C)cc2)cnn1-c1ccc(C)cc1
InChIInChI=1S/C24H28N4O2/c1-5-22-21(15-26-28(22)20-12-6-17(4)7-13-20)24(30)25-14-18-8-10-19(11-9-18)27-23(29)16(2)3/h6-13,15-16H,5,14H2,1-4H3,(H,25,30)(H,27,29)
InChIKeyBGGFGAPZKIRESB-UHFFFAOYSA-N
MW404.51 g/mol
LogP4.27
Rot. Bonds7

About 5-ethyl-1-(4-methylphenyl)-N-[[4-(2-methylpropanoylamino)phenyl]methyl]pyrazole-4-carboxamide

5-ethyl-1-(4-methylphenyl)-N-[[4-(2-methylpropanoylamino)phenyl]methyl]pyrazole-4-carboxamide (PubChem CID 55576435) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is 5-ethyl-1-(4-methylphenyl)-N-[[4-(2-methylpropanoylamino)phenyl]methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-ethyl-1-(4-methylphenyl)-N-[[4-(2-methylpropanoylamino)phenyl]methyl]pyrazole-4-carboxamide
PubChem CID55576435
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC Name5-ethyl-1-(4-methylphenyl)-N-[[4-(2-methylpropanoylamino)phenyl]methyl]pyrazole-4-carboxamide
SMILESCCc1c(C(=O)NCc2ccc(NC(=O)C(C)C)cc2)cnn1-c1ccc(C)cc1
InChIInChI=1S/C24H28N4O2/c1-5-22-21(15-26-28(22)20-12-6-17(4)7-13-20)24(30)25-14-18-8-10-19(11-9-18)27-23(29)16(2)3/h6-13,15-16H,5,14H2,1-4H3,(H,25,30)(H,27,29)
InChIKeyBGGFGAPZKIRESB-UHFFFAOYSA-N
XLogP4.27
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-N,1-bis(4-methylphenyl)pyrazole-4-carboxamide
CID 46584156
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CID 46584032
5-ethyl-N-(3-hydroxypropyl)-1-(4-methylphenyl)pyrazole-4-carboxamide
CID 78854292
1-(4-methylphenyl)-5-propan-2-yl-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]pyrazole-4-carboxamide
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2-hydroxy-5-methyl-N-[[4-(2-methylpropanoylamino)phenyl]methyl]benzamide
CID 37267775
5-ethyl-1-(4-methylphenyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrazole-4-carboxamide
CID 39122202
1-(4-methylphenyl)-5-propan-2-yl-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 55607922
2-methyl-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]propanamide
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CID 46582435
1-(4-fluorophenyl)-5-propan-2-yl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]pyrazole-4-carboxamide
CID 46456579
N-[(4-carbamoylphenyl)methyl]-1-(3-chlorophenyl)-5-ethylpyrazole-4-carboxamide
CID 46589750
5-ethyl-1-(4-fluorophenyl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-(4-methylphenyl)-N-[[4-(2-methylpropanoylamino)phenyl]methyl]pyrazole-4-carboxamide?
The IUPAC name of 5-ethyl-1-(4-methylphenyl)-N-[[4-(2-methylpropanoylamino)phenyl]methyl]pyrazole-4-carboxamide (CID 55576435) is 5-ethyl-1-(4-methylphenyl)-N-[[4-(2-methylpropanoylamino)phenyl]methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-ethyl-1-(4-methylphenyl)-N-[[4-(2-methylpropanoylamino)phenyl]methyl]pyrazole-4-carboxamide?
The canonical SMILES for 5-ethyl-1-(4-methylphenyl)-N-[[4-(2-methylpropanoylamino)phenyl]methyl]pyrazole-4-carboxamide is CCc1c(C(=O)NCc2ccc(NC(=O)C(C)C)cc2)cnn1-c1ccc(C)cc1.
What is the InChIKey of 5-ethyl-1-(4-methylphenyl)-N-[[4-(2-methylpropanoylamino)phenyl]methyl]pyrazole-4-carboxamide?
The InChIKey is BGGFGAPZKIRESB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-5-22-21(15-26-28(22)20-12-6-17(4)7-13-20)24(30)25-14-18-8-10-19(11-9-18)27-23(29)16(2)3/h6-13,15-16H,5,14H2,1-4H3,(H,25,30)(H,27,29).
What are the key properties of 5-ethyl-1-(4-methylphenyl)-N-[[4-(2-methylpropanoylamino)phenyl]methyl]pyrazole-4-carboxamide?
5-ethyl-1-(4-methylphenyl)-N-[[4-(2-methylpropanoylamino)phenyl]methyl]pyrazole-4-carboxamide has a molecular weight of 404.51 g/mol, XLogP of 4.27, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-(4-methylphenyl)-N-[[4-(2-methylpropanoylamino)phenyl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 55576435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).