N-(4-methylcyclohexyl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide

C16H25N3O — CID 5309319

IUPACN-(4-methylcyclohexyl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
SMILESCC1CCC(NC(=O)Cn2cc3c(n2)CCCC3)CC1
InChIInChI=1S/C16H25N3O/c1-12-6-8-14(9-7-12)17-16(20)11-19-10-13-4-2-3-5-15(13)18-19/h10,12,14H,2-9,11H2,1H3,(H,17,20)
InChIKeyPBCAETIFRAEWJN-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.46
Rot. Bonds3

About N-(4-methylcyclohexyl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide

N-(4-methylcyclohexyl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide (PubChem CID 5309319) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N-(4-methylcyclohexyl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(4-methylcyclohexyl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
PubChem CID5309319
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN-(4-methylcyclohexyl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
SMILESCC1CCC(NC(=O)Cn2cc3c(n2)CCCC3)CC1
InChIInChI=1S/C16H25N3O/c1-12-6-8-14(9-7-12)17-16(20)11-19-10-13-4-2-3-5-15(13)18-19/h10,12,14H,2-9,11H2,1H3,(H,17,20)
InChIKeyPBCAETIFRAEWJN-UHFFFAOYSA-N
XLogP2.46
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylcyclohexyl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide?
The IUPAC name of N-(4-methylcyclohexyl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide (CID 5309319) is N-(4-methylcyclohexyl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide.
What is the SMILES notation for N-(4-methylcyclohexyl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide?
The canonical SMILES for N-(4-methylcyclohexyl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide is CC1CCC(NC(=O)Cn2cc3c(n2)CCCC3)CC1.
What is the InChIKey of N-(4-methylcyclohexyl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide?
The InChIKey is PBCAETIFRAEWJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-12-6-8-14(9-7-12)17-16(20)11-19-10-13-4-2-3-5-15(13)18-19/h10,12,14H,2-9,11H2,1H3,(H,17,20).
What are the key properties of N-(4-methylcyclohexyl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide?
N-(4-methylcyclohexyl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide has a molecular weight of 275.40 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylcyclohexyl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide is sourced from PubChem (CID 5309319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).