2-[4-(4-cyclopentylphenyl)-3,5-dimethylpyrazol-1-yl]acetamide

C18H23N3O — CID 72855522

IUPAC2-[4-(4-cyclopentylphenyl)-3,5-dimethylpyrazol-1-yl]acetamide
SMILESCc1nn(CC(N)=O)c(C)c1-c1ccc(C2CCCC2)cc1
InChIInChI=1S/C18H23N3O/c1-12-18(13(2)21(20-12)11-17(19)22)16-9-7-15(8-10-16)14-5-3-4-6-14/h7-10,14H,3-6,11H2,1-2H3,(H2,19,22)
InChIKeyFRALGDYXBBLIHM-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.31
Rot. Bonds4

About 2-[4-(4-cyclopentylphenyl)-3,5-dimethylpyrazol-1-yl]acetamide

2-[4-(4-cyclopentylphenyl)-3,5-dimethylpyrazol-1-yl]acetamide (PubChem CID 72855522) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 2-[4-(4-cyclopentylphenyl)-3,5-dimethylpyrazol-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-(4-cyclopentylphenyl)-3,5-dimethylpyrazol-1-yl]acetamide
PubChem CID72855522
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name2-[4-(4-cyclopentylphenyl)-3,5-dimethylpyrazol-1-yl]acetamide
SMILESCc1nn(CC(N)=O)c(C)c1-c1ccc(C2CCCC2)cc1
InChIInChI=1S/C18H23N3O/c1-12-18(13(2)21(20-12)11-17(19)22)16-9-7-15(8-10-16)14-5-3-4-6-14/h7-10,14H,3-6,11H2,1-2H3,(H2,19,22)
InChIKeyFRALGDYXBBLIHM-UHFFFAOYSA-N
XLogP3.31
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-cyclopentylphenyl)-3,5-dimethylpyrazol-1-yl]acetamide?
The IUPAC name of 2-[4-(4-cyclopentylphenyl)-3,5-dimethylpyrazol-1-yl]acetamide (CID 72855522) is 2-[4-(4-cyclopentylphenyl)-3,5-dimethylpyrazol-1-yl]acetamide.
What is the SMILES notation for 2-[4-(4-cyclopentylphenyl)-3,5-dimethylpyrazol-1-yl]acetamide?
The canonical SMILES for 2-[4-(4-cyclopentylphenyl)-3,5-dimethylpyrazol-1-yl]acetamide is Cc1nn(CC(N)=O)c(C)c1-c1ccc(C2CCCC2)cc1.
What is the InChIKey of 2-[4-(4-cyclopentylphenyl)-3,5-dimethylpyrazol-1-yl]acetamide?
The InChIKey is FRALGDYXBBLIHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-12-18(13(2)21(20-12)11-17(19)22)16-9-7-15(8-10-16)14-5-3-4-6-14/h7-10,14H,3-6,11H2,1-2H3,(H2,19,22).
What are the key properties of 2-[4-(4-cyclopentylphenyl)-3,5-dimethylpyrazol-1-yl]acetamide?
2-[4-(4-cyclopentylphenyl)-3,5-dimethylpyrazol-1-yl]acetamide has a molecular weight of 297.40 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-cyclopentylphenyl)-3,5-dimethylpyrazol-1-yl]acetamide is sourced from PubChem (CID 72855522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).