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

C12H19N3O — CID 6623643

IUPACN-propan-2-yl-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
SMILESCC(C)NC(=O)Cn1cc2c(n1)CCCC2
InChIInChI=1S/C12H19N3O/c1-9(2)13-12(16)8-15-7-10-5-3-4-6-11(10)14-15/h7,9H,3-6,8H2,1-2H3,(H,13,16)
InChIKeyBQSFQSRSCNLJCB-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.29
Rot. Bonds3

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

N-propan-2-yl-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide (PubChem CID 6623643) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is N-propan-2-yl-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide.

Molecular Properties

Compound NameN-propan-2-yl-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
PubChem CID6623643
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC NameN-propan-2-yl-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
SMILESCC(C)NC(=O)Cn1cc2c(n1)CCCC2
InChIInChI=1S/C12H19N3O/c1-9(2)13-12(16)8-15-7-10-5-3-4-6-11(10)14-15/h7,9H,3-6,8H2,1-2H3,(H,13,16)
InChIKeyBQSFQSRSCNLJCB-UHFFFAOYSA-N
XLogP1.29
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide?
The IUPAC name of N-propan-2-yl-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide (CID 6623643) is N-propan-2-yl-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide.
What is the SMILES notation for N-propan-2-yl-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide?
The canonical SMILES for N-propan-2-yl-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide is CC(C)NC(=O)Cn1cc2c(n1)CCCC2.
What is the InChIKey of N-propan-2-yl-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide?
The InChIKey is BQSFQSRSCNLJCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-9(2)13-12(16)8-15-7-10-5-3-4-6-11(10)14-15/h7,9H,3-6,8H2,1-2H3,(H,13,16).
What are the key properties of N-propan-2-yl-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide?
N-propan-2-yl-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide has a molecular weight of 221.30 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide is sourced from PubChem (CID 6623643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).