2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-(2-cyclohexylpyrazol-3-yl)acetamide

C18H25N5O2 — CID 46995301

IUPAC2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-(2-cyclohexylpyrazol-3-yl)acetamide
SMILESCC(=O)c1c(C)nn(CC(=O)Nc2ccnn2C2CCCCC2)c1C
InChIInChI=1S/C18H25N5O2/c1-12-18(14(3)24)13(2)22(21-12)11-17(25)20-16-9-10-19-23(16)15-7-5-4-6-8-15/h9-10,15H,4-8,11H2,1-3H3,(H,20,25)
InChIKeyLXHHGEXMYSJHIK-UHFFFAOYSA-N
MW343.43 g/mol
LogP3.04
Rot. Bonds5

About 2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-(2-cyclohexylpyrazol-3-yl)acetamide

2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-(2-cyclohexylpyrazol-3-yl)acetamide (PubChem CID 46995301) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-(2-cyclohexylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-(2-cyclohexylpyrazol-3-yl)acetamide
PubChem CID46995301
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-(2-cyclohexylpyrazol-3-yl)acetamide
SMILESCC(=O)c1c(C)nn(CC(=O)Nc2ccnn2C2CCCCC2)c1C
InChIInChI=1S/C18H25N5O2/c1-12-18(14(3)24)13(2)22(21-12)11-17(25)20-16-9-10-19-23(16)15-7-5-4-6-8-15/h9-10,15H,4-8,11H2,1-3H3,(H,20,25)
InChIKeyLXHHGEXMYSJHIK-UHFFFAOYSA-N
XLogP3.04
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-(2-cyclohexylpyrazol-3-yl)acetamide?
The IUPAC name of 2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-(2-cyclohexylpyrazol-3-yl)acetamide (CID 46995301) is 2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-(2-cyclohexylpyrazol-3-yl)acetamide.
What is the SMILES notation for 2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-(2-cyclohexylpyrazol-3-yl)acetamide?
The canonical SMILES for 2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-(2-cyclohexylpyrazol-3-yl)acetamide is CC(=O)c1c(C)nn(CC(=O)Nc2ccnn2C2CCCCC2)c1C.
What is the InChIKey of 2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-(2-cyclohexylpyrazol-3-yl)acetamide?
The InChIKey is LXHHGEXMYSJHIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-12-18(14(3)24)13(2)22(21-12)11-17(25)20-16-9-10-19-23(16)15-7-5-4-6-8-15/h9-10,15H,4-8,11H2,1-3H3,(H,20,25).
What are the key properties of 2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-(2-cyclohexylpyrazol-3-yl)acetamide?
2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-(2-cyclohexylpyrazol-3-yl)acetamide has a molecular weight of 343.43 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-(2-cyclohexylpyrazol-3-yl)acetamide is sourced from PubChem (CID 46995301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).