N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]cyclohexanecarboxamide

C16H25N3O — CID 71808283

IUPACN-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]cyclohexanecarboxamide
SMILESCn1nc(CNC(=O)C2CCCCC2)c2c1CCCC2
InChIInChI=1S/C16H25N3O/c1-19-15-10-6-5-9-13(15)14(18-19)11-17-16(20)12-7-3-2-4-8-12/h12H,2-11H2,1H3,(H,17,20)
InChIKeyRITYNTMYPPAAGI-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.50
Rot. Bonds3

About N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]cyclohexanecarboxamide

N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]cyclohexanecarboxamide (PubChem CID 71808283) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]cyclohexanecarboxamide
PubChem CID71808283
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]cyclohexanecarboxamide
SMILESCn1nc(CNC(=O)C2CCCCC2)c2c1CCCC2
InChIInChI=1S/C16H25N3O/c1-19-15-10-6-5-9-13(15)14(18-19)11-17-16(20)12-7-3-2-4-8-12/h12H,2-11H2,1H3,(H,17,20)
InChIKeyRITYNTMYPPAAGI-UHFFFAOYSA-N
XLogP2.50
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 ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]cyclohexanecarboxamide?
The IUPAC name of N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]cyclohexanecarboxamide (CID 71808283) is N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]cyclohexanecarboxamide?
The canonical SMILES for N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]cyclohexanecarboxamide is Cn1nc(CNC(=O)C2CCCCC2)c2c1CCCC2.
What is the InChIKey of N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]cyclohexanecarboxamide?
The InChIKey is RITYNTMYPPAAGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-19-15-10-6-5-9-13(15)14(18-19)11-17-16(20)12-7-3-2-4-8-12/h12H,2-11H2,1H3,(H,17,20).
What are the key properties of N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]cyclohexanecarboxamide?
N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]cyclohexanecarboxamide has a molecular weight of 275.40 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]cyclohexanecarboxamide is sourced from PubChem (CID 71808283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).