N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]cyclobutanecarboxamide

C20H25N3O — CID 24792084

IUPACN-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]cyclobutanecarboxamide
SMILESCc1cc(C)cc(-n2ncc3c2CCCC3NC(=O)C2CCC2)c1
InChIInChI=1S/C20H25N3O/c1-13-9-14(2)11-16(10-13)23-19-8-4-7-18(17(19)12-21-23)22-20(24)15-5-3-6-15/h9-12,15,18H,3-8H2,1-2H3,(H,22,24)
InChIKeyHJPAZXOAIHJPLB-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.78
Rot. Bonds3

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

N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]cyclobutanecarboxamide (PubChem CID 24792084) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]cyclobutanecarboxamide
PubChem CID24792084
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC NameN-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]cyclobutanecarboxamide
SMILESCc1cc(C)cc(-n2ncc3c2CCCC3NC(=O)C2CCC2)c1
InChIInChI=1S/C20H25N3O/c1-13-9-14(2)11-16(10-13)23-19-8-4-7-18(17(19)12-21-23)22-20(24)15-5-3-6-15/h9-12,15,18H,3-8H2,1-2H3,(H,22,24)
InChIKeyHJPAZXOAIHJPLB-UHFFFAOYSA-N
XLogP3.78
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]cyclobutanecarboxamide?
The IUPAC name of N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]cyclobutanecarboxamide (CID 24792084) is N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]cyclobutanecarboxamide.
What is the SMILES notation for N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]cyclobutanecarboxamide?
The canonical SMILES for N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]cyclobutanecarboxamide is Cc1cc(C)cc(-n2ncc3c2CCCC3NC(=O)C2CCC2)c1.
What is the InChIKey of N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]cyclobutanecarboxamide?
The InChIKey is HJPAZXOAIHJPLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-13-9-14(2)11-16(10-13)23-19-8-4-7-18(17(19)12-21-23)22-20(24)15-5-3-6-15/h9-12,15,18H,3-8H2,1-2H3,(H,22,24).
What are the key properties of N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]cyclobutanecarboxamide?
N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]cyclobutanecarboxamide has a molecular weight of 323.44 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]cyclobutanecarboxamide is sourced from PubChem (CID 24792084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).