N-(4,5,6,7-tetrahydro-1H-indazol-5-ylmethyl)acetamide

C10H15N3O — CID 15453548

IUPACN-(4,5,6,7-tetrahydro-1H-indazol-5-ylmethyl)acetamide
SMILESCC(=O)NCC1CCc2[nH]ncc2C1
InChIInChI=1S/C10H15N3O/c1-7(14)11-5-8-2-3-10-9(4-8)6-12-13-10/h6,8H,2-5H2,1H3,(H,11,14)(H,12,13)
InChIKeyMNPHJDXEHURXDS-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.65
Rot. Bonds2

About N-(4,5,6,7-tetrahydro-1H-indazol-5-ylmethyl)acetamide

N-(4,5,6,7-tetrahydro-1H-indazol-5-ylmethyl)acetamide (PubChem CID 15453548) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is N-(4,5,6,7-tetrahydro-1H-indazol-5-ylmethyl)acetamide.

Molecular Properties

Compound NameN-(4,5,6,7-tetrahydro-1H-indazol-5-ylmethyl)acetamide
PubChem CID15453548
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC NameN-(4,5,6,7-tetrahydro-1H-indazol-5-ylmethyl)acetamide
SMILESCC(=O)NCC1CCc2[nH]ncc2C1
InChIInChI=1S/C10H15N3O/c1-7(14)11-5-8-2-3-10-9(4-8)6-12-13-10/h6,8H,2-5H2,1H3,(H,11,14)(H,12,13)
InChIKeyMNPHJDXEHURXDS-UHFFFAOYSA-N
XLogP0.65
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4,5,6,7-tetrahydro-1H-indazol-5-ylmethyl)acetamide?
The IUPAC name of N-(4,5,6,7-tetrahydro-1H-indazol-5-ylmethyl)acetamide (CID 15453548) is N-(4,5,6,7-tetrahydro-1H-indazol-5-ylmethyl)acetamide.
What is the SMILES notation for N-(4,5,6,7-tetrahydro-1H-indazol-5-ylmethyl)acetamide?
The canonical SMILES for N-(4,5,6,7-tetrahydro-1H-indazol-5-ylmethyl)acetamide is CC(=O)NCC1CCc2[nH]ncc2C1.
What is the InChIKey of N-(4,5,6,7-tetrahydro-1H-indazol-5-ylmethyl)acetamide?
The InChIKey is MNPHJDXEHURXDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-7(14)11-5-8-2-3-10-9(4-8)6-12-13-10/h6,8H,2-5H2,1H3,(H,11,14)(H,12,13).
What are the key properties of N-(4,5,6,7-tetrahydro-1H-indazol-5-ylmethyl)acetamide?
N-(4,5,6,7-tetrahydro-1H-indazol-5-ylmethyl)acetamide has a molecular weight of 193.25 g/mol, XLogP of 0.65, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5,6,7-tetrahydro-1H-indazol-5-ylmethyl)acetamide is sourced from PubChem (CID 15453548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).