2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]acetamide

C20H25N5O — CID 56890511

IUPAC2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]acetamide
SMILESCc1cc(CC(C)NC(=O)Cc2c(C)nn(-c3ccccc3)c2C)n[nH]1
InChIInChI=1S/C20H25N5O/c1-13(10-17-11-14(2)22-23-17)21-20(26)12-19-15(3)24-25(16(19)4)18-8-6-5-7-9-18/h5-9,11,13H,10,12H2,1-4H3,(H,21,26)(H,22,23)
InChIKeyPQDOZUPIPDCARE-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.81
Rot. Bonds6

About 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]acetamide

2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]acetamide (PubChem CID 56890511) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]acetamide
PubChem CID56890511
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC Name2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]acetamide
SMILESCc1cc(CC(C)NC(=O)Cc2c(C)nn(-c3ccccc3)c2C)n[nH]1
InChIInChI=1S/C20H25N5O/c1-13(10-17-11-14(2)22-23-17)21-20(26)12-19-15(3)24-25(16(19)4)18-8-6-5-7-9-18/h5-9,11,13H,10,12H2,1-4H3,(H,21,26)(H,22,23)
InChIKeyPQDOZUPIPDCARE-UHFFFAOYSA-N
XLogP2.81
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]acetamide
CID 124848562
3-[[2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]butanoic acid
CID 119220770
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(1-naphthalen-2-ylethyl)acetamide
CID 46599157
(2R)-2-[[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]amino]-N-ethylpropanamide
CID 9470539
2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(1-hydroxypropan-2-yl)acetamide
CID 78884101
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide
CID 75381923
2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[1-(2,6-difluorophenyl)propan-2-yl]acetamide
CID 55877559
N-[1-(3,4-difluorophenyl)ethyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 18200432
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 9478159
2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(1-hydroxypropan-2-yl)acetamide
CID 78884902
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 9155603
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(3-propan-2-ylphenyl)acetamide
CID 9226832

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]acetamide?
The IUPAC name of 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]acetamide (CID 56890511) is 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]acetamide?
The canonical SMILES for 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]acetamide is Cc1cc(CC(C)NC(=O)Cc2c(C)nn(-c3ccccc3)c2C)n[nH]1.
What is the InChIKey of 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]acetamide?
The InChIKey is PQDOZUPIPDCARE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O/c1-13(10-17-11-14(2)22-23-17)21-20(26)12-19-15(3)24-25(16(19)4)18-8-6-5-7-9-18/h5-9,11,13H,10,12H2,1-4H3,(H,21,26)(H,22,23).
What are the key properties of 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]acetamide?
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]acetamide has a molecular weight of 351.45 g/mol, XLogP of 2.81, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]acetamide is sourced from PubChem (CID 56890511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).