N-[(4-ethylcyclohexyl)methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide

C17H29N3O — CID 48861726

IUPACN-[(4-ethylcyclohexyl)methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCCC1CCC(CNC(=O)Cc2c(C)nn(C)c2C)CC1
InChIInChI=1S/C17H29N3O/c1-5-14-6-8-15(9-7-14)11-18-17(21)10-16-12(2)19-20(4)13(16)3/h14-15H,5-11H2,1-4H3,(H,18,21)
InChIKeyAJDKRKCVGXAXHM-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.91
Rot. Bonds5

About N-[(4-ethylcyclohexyl)methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide

N-[(4-ethylcyclohexyl)methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (PubChem CID 48861726) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is N-[(4-ethylcyclohexyl)methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[(4-ethylcyclohexyl)methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
PubChem CID48861726
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC NameN-[(4-ethylcyclohexyl)methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCCC1CCC(CNC(=O)Cc2c(C)nn(C)c2C)CC1
InChIInChI=1S/C17H29N3O/c1-5-14-6-8-15(9-7-14)11-18-17(21)10-16-12(2)19-20(4)13(16)3/h14-15H,5-11H2,1-4H3,(H,18,21)
InChIKeyAJDKRKCVGXAXHM-UHFFFAOYSA-N
XLogP2.91
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylcyclohexyl)methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The IUPAC name of N-[(4-ethylcyclohexyl)methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (CID 48861726) is N-[(4-ethylcyclohexyl)methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for N-[(4-ethylcyclohexyl)methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The canonical SMILES for N-[(4-ethylcyclohexyl)methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide is CCC1CCC(CNC(=O)Cc2c(C)nn(C)c2C)CC1.
What is the InChIKey of N-[(4-ethylcyclohexyl)methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The InChIKey is AJDKRKCVGXAXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-5-14-6-8-15(9-7-14)11-18-17(21)10-16-12(2)19-20(4)13(16)3/h14-15H,5-11H2,1-4H3,(H,18,21).
What are the key properties of N-[(4-ethylcyclohexyl)methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
N-[(4-ethylcyclohexyl)methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide has a molecular weight of 291.44 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylcyclohexyl)methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 48861726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).