2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[2-(naphthalen-1-ylmethyl)pyrazol-3-yl]acetamide

C25H29N5O — CID 55779858

IUPAC2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[2-(naphthalen-1-ylmethyl)pyrazol-3-yl]acetamide
SMILESCc1nn(CC(C)C)c(C)c1CC(=O)Nc1ccnn1Cc1cccc2ccccc12
InChIInChI=1S/C25H29N5O/c1-17(2)15-29-19(4)23(18(3)28-29)14-25(31)27-24-12-13-26-30(24)16-21-10-7-9-20-8-5-6-11-22(20)21/h5-13,17H,14-16H2,1-4H3,(H,27,31)
InChIKeyPYYMHZKBJMTVMD-UHFFFAOYSA-N
MW415.54 g/mol
LogP4.74
Rot. Bonds7

About 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[2-(naphthalen-1-ylmethyl)pyrazol-3-yl]acetamide

2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[2-(naphthalen-1-ylmethyl)pyrazol-3-yl]acetamide (PubChem CID 55779858) has the molecular formula C25H29N5O and a molecular weight of 415.54 g/mol. Its IUPAC name is 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[2-(naphthalen-1-ylmethyl)pyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[2-(naphthalen-1-ylmethyl)pyrazol-3-yl]acetamide
PubChem CID55779858
Molecular FormulaC25H29N5O
Molecular Weight415.54 g/mol
Exact Mass415.24
IUPAC Name2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[2-(naphthalen-1-ylmethyl)pyrazol-3-yl]acetamide
SMILESCc1nn(CC(C)C)c(C)c1CC(=O)Nc1ccnn1Cc1cccc2ccccc12
InChIInChI=1S/C25H29N5O/c1-17(2)15-29-19(4)23(18(3)28-29)14-25(31)27-24-12-13-26-30(24)16-21-10-7-9-20-8-5-6-11-22(20)21/h5-13,17H,14-16H2,1-4H3,(H,27,31)
InChIKeyPYYMHZKBJMTVMD-UHFFFAOYSA-N
XLogP4.74
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[2-(naphthalen-1-ylmethyl)pyrazol-3-yl]acetamide?
The IUPAC name of 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[2-(naphthalen-1-ylmethyl)pyrazol-3-yl]acetamide (CID 55779858) is 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[2-(naphthalen-1-ylmethyl)pyrazol-3-yl]acetamide.
What is the SMILES notation for 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[2-(naphthalen-1-ylmethyl)pyrazol-3-yl]acetamide?
The canonical SMILES for 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[2-(naphthalen-1-ylmethyl)pyrazol-3-yl]acetamide is Cc1nn(CC(C)C)c(C)c1CC(=O)Nc1ccnn1Cc1cccc2ccccc12.
What is the InChIKey of 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[2-(naphthalen-1-ylmethyl)pyrazol-3-yl]acetamide?
The InChIKey is PYYMHZKBJMTVMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O/c1-17(2)15-29-19(4)23(18(3)28-29)14-25(31)27-24-12-13-26-30(24)16-21-10-7-9-20-8-5-6-11-22(20)21/h5-13,17H,14-16H2,1-4H3,(H,27,31).
What are the key properties of 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[2-(naphthalen-1-ylmethyl)pyrazol-3-yl]acetamide?
2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[2-(naphthalen-1-ylmethyl)pyrazol-3-yl]acetamide has a molecular weight of 415.54 g/mol, XLogP of 4.74, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[2-(naphthalen-1-ylmethyl)pyrazol-3-yl]acetamide is sourced from PubChem (CID 55779858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).