3,5-dimethyl-1-[(4-methylphenyl)methyl]-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]pyrazole-4-carboxamide

C20H28N4O2 — CID 9227751

IUPAC3,5-dimethyl-1-[(4-methylphenyl)methyl]-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]pyrazole-4-carboxamide
SMILESCCCNC(=O)[C@H](C)NC(=O)c1c(C)nn(Cc2ccc(C)cc2)c1C
InChIInChI=1S/C20H28N4O2/c1-6-11-21-19(25)15(4)22-20(26)18-14(3)23-24(16(18)5)12-17-9-7-13(2)8-10-17/h7-10,15H,6,11-12H2,1-5H3,(H,21,25)(H,22,26)/t15-/m0/s1
InChIKeyDTQLLANJECHQJS-HNNXBMFYSA-N
MW356.47 g/mol
LogP2.50
Rot. Bonds7

About 3,5-dimethyl-1-[(4-methylphenyl)methyl]-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]pyrazole-4-carboxamide

3,5-dimethyl-1-[(4-methylphenyl)methyl]-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]pyrazole-4-carboxamide (PubChem CID 9227751) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is 3,5-dimethyl-1-[(4-methylphenyl)methyl]-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-1-[(4-methylphenyl)methyl]-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]pyrazole-4-carboxamide
PubChem CID9227751
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name3,5-dimethyl-1-[(4-methylphenyl)methyl]-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]pyrazole-4-carboxamide
SMILESCCCNC(=O)[C@H](C)NC(=O)c1c(C)nn(Cc2ccc(C)cc2)c1C
InChIInChI=1S/C20H28N4O2/c1-6-11-21-19(25)15(4)22-20(26)18-14(3)23-24(16(18)5)12-17-9-7-13(2)8-10-17/h7-10,15H,6,11-12H2,1-5H3,(H,21,25)(H,22,26)/t15-/m0/s1
InChIKeyDTQLLANJECHQJS-HNNXBMFYSA-N
XLogP2.50
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-3,5-dimethyl-N-[1-oxo-1-(propylamino)propan-2-yl]pyrazole-4-carboxamide
CID 46612646
[(2S)-1-oxo-1-(propylamino)propan-2-yl] 3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxylate
CID 8986634
1-benzyl-5-chloro-3-methyl-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]pyrazole-4-carboxamide
CID 9227721
N-[1-(4-ethoxyphenyl)ethyl]-3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
CID 18270907
5-chloro-3-methyl-1-[(4-methylphenyl)methyl]-N-[2-(2-methylpropanoylamino)ethyl]pyrazole-4-carboxamide
CID 31365143
3,5-dimethyl-1-[(4-methylphenyl)methyl]-N-(4-phenylbutyl)pyrazole-4-carboxamide
CID 24563594
N-(1-amino-1-oxopropan-2-yl)-1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazole-4-carboxamide
CID 134045694
N-[(4-methoxyphenyl)methyl]-3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
CID 9208102
N-(2-benzylsulfanylethyl)-3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
CID 9470309
3,5-dimethyl-1-[(4-methylphenyl)methyl]-N-piperidin-1-ylpyrazole-4-carboxamide
CID 9271721
(2R)-2-[[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazole-4-carbonyl]amino]propanoic acid
CID 119243799
1-benzyl-6-oxo-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]pyridazine-3-carboxamide
CID 51923294

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-[(4-methylphenyl)methyl]-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]pyrazole-4-carboxamide?
The IUPAC name of 3,5-dimethyl-1-[(4-methylphenyl)methyl]-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]pyrazole-4-carboxamide (CID 9227751) is 3,5-dimethyl-1-[(4-methylphenyl)methyl]-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 3,5-dimethyl-1-[(4-methylphenyl)methyl]-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]pyrazole-4-carboxamide?
The canonical SMILES for 3,5-dimethyl-1-[(4-methylphenyl)methyl]-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]pyrazole-4-carboxamide is CCCNC(=O)[C@H](C)NC(=O)c1c(C)nn(Cc2ccc(C)cc2)c1C.
What is the InChIKey of 3,5-dimethyl-1-[(4-methylphenyl)methyl]-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]pyrazole-4-carboxamide?
The InChIKey is DTQLLANJECHQJS-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-6-11-21-19(25)15(4)22-20(26)18-14(3)23-24(16(18)5)12-17-9-7-13(2)8-10-17/h7-10,15H,6,11-12H2,1-5H3,(H,21,25)(H,22,26)/t15-/m0/s1.
What are the key properties of 3,5-dimethyl-1-[(4-methylphenyl)methyl]-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]pyrazole-4-carboxamide?
3,5-dimethyl-1-[(4-methylphenyl)methyl]-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]pyrazole-4-carboxamide has a molecular weight of 356.47 g/mol, XLogP of 2.50, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-[(4-methylphenyl)methyl]-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 9227751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).