N-cycloheptyl-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide

C20H27N3O — CID 9045905

IUPACN-cycloheptyl-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
SMILESCc1nn(-c2ccccc2)c(C)c1CC(=O)NC1CCCCCC1
InChIInChI=1S/C20H27N3O/c1-15-19(14-20(24)21-17-10-6-3-4-7-11-17)16(2)23(22-15)18-12-8-5-9-13-18/h5,8-9,12-13,17H,3-4,6-7,10-11,14H2,1-2H3,(H,21,24)
InChIKeyMTDAFCTXLJJYAT-UHFFFAOYSA-N
MW325.46 g/mol
LogP3.87
Rot. Bonds4

About N-cycloheptyl-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide

N-cycloheptyl-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide (PubChem CID 9045905) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is N-cycloheptyl-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-cycloheptyl-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
PubChem CID9045905
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC NameN-cycloheptyl-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
SMILESCc1nn(-c2ccccc2)c(C)c1CC(=O)NC1CCCCCC1
InChIInChI=1S/C20H27N3O/c1-15-19(14-20(24)21-17-10-6-3-4-7-11-17)16(2)23(22-15)18-12-8-5-9-13-18/h5,8-9,12-13,17H,3-4,6-7,10-11,14H2,1-2H3,(H,21,24)
InChIKeyMTDAFCTXLJJYAT-UHFFFAOYSA-N
XLogP3.87
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide?
The IUPAC name of N-cycloheptyl-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide (CID 9045905) is N-cycloheptyl-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide.
What is the SMILES notation for N-cycloheptyl-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide?
The canonical SMILES for N-cycloheptyl-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide is Cc1nn(-c2ccccc2)c(C)c1CC(=O)NC1CCCCCC1.
What is the InChIKey of N-cycloheptyl-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide?
The InChIKey is MTDAFCTXLJJYAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c1-15-19(14-20(24)21-17-10-6-3-4-7-11-17)16(2)23(22-15)18-12-8-5-9-13-18/h5,8-9,12-13,17H,3-4,6-7,10-11,14H2,1-2H3,(H,21,24).
What are the key properties of N-cycloheptyl-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide?
N-cycloheptyl-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide has a molecular weight of 325.46 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide is sourced from PubChem (CID 9045905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).