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

C20H22N4O — CID 46887107

IUPAC2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(3-methyl-2-pyridinyl)methyl]acetamide
SMILESCc1cccnc1CNC(=O)Cc1c(C)nn(-c2ccccc2)c1C
InChIInChI=1S/C20H22N4O/c1-14-8-7-11-21-19(14)13-22-20(25)12-18-15(2)23-24(16(18)3)17-9-5-4-6-10-17/h4-11H,12-13H2,1-3H3,(H,22,25)
InChIKeyZEXOCLSEKVBOSB-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.05
Rot. Bonds5

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

2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(3-methyl-2-pyridinyl)methyl]acetamide (PubChem CID 46887107) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(3-methyl-2-pyridinyl)methyl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(3-methyl-2-pyridinyl)methyl]acetamide
PubChem CID46887107
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(3-methyl-2-pyridinyl)methyl]acetamide
SMILESCc1cccnc1CNC(=O)Cc1c(C)nn(-c2ccccc2)c1C
InChIInChI=1S/C20H22N4O/c1-14-8-7-11-21-19(14)13-22-20(25)12-18-15(2)23-24(16(18)3)17-9-5-4-6-10-17/h4-11H,12-13H2,1-3H3,(H,22,25)
InChIKeyZEXOCLSEKVBOSB-UHFFFAOYSA-N
XLogP3.05
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(3-methyl-2-pyridinyl)methyl]acetamide?
The IUPAC name of 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(3-methyl-2-pyridinyl)methyl]acetamide (CID 46887107) is 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(3-methyl-2-pyridinyl)methyl]acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(3-methyl-2-pyridinyl)methyl]acetamide?
The canonical SMILES for 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(3-methyl-2-pyridinyl)methyl]acetamide is Cc1cccnc1CNC(=O)Cc1c(C)nn(-c2ccccc2)c1C.
What is the InChIKey of 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(3-methyl-2-pyridinyl)methyl]acetamide?
The InChIKey is ZEXOCLSEKVBOSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-14-8-7-11-21-19(14)13-22-20(25)12-18-15(2)23-24(16(18)3)17-9-5-4-6-10-17/h4-11H,12-13H2,1-3H3,(H,22,25).
What are the key properties of 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(3-methyl-2-pyridinyl)methyl]acetamide?
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(3-methyl-2-pyridinyl)methyl]acetamide has a molecular weight of 334.42 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 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-[(3-methyl-2-pyridinyl)methyl]acetamide is sourced from PubChem (CID 46887107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).