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

C20H24N4O2 — CID 24793846

IUPAC1-N'-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]cyclopropane-1,1-dicarboxamide
SMILESCc1cc(C)cc(-n2ncc3c2CCCC3NC(=O)C2(C(N)=O)CC2)c1
InChIInChI=1S/C20H24N4O2/c1-12-8-13(2)10-14(9-12)24-17-5-3-4-16(15(17)11-22-24)23-19(26)20(6-7-20)18(21)25/h8-11,16H,3-7H2,1-2H3,(H2,21,25)(H,23,26)
InChIKeyMAUSSMRTUHBRRH-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.25
Rot. Bonds4

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

1-N'-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]cyclopropane-1,1-dicarboxamide (PubChem CID 24793846) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 1-N'-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]cyclopropane-1,1-dicarboxamide
PubChem CID24793846
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name1-N'-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]cyclopropane-1,1-dicarboxamide
SMILESCc1cc(C)cc(-n2ncc3c2CCCC3NC(=O)C2(C(N)=O)CC2)c1
InChIInChI=1S/C20H24N4O2/c1-12-8-13(2)10-14(9-12)24-17-5-3-4-16(15(17)11-22-24)23-19(26)20(6-7-20)18(21)25/h8-11,16H,3-7H2,1-2H3,(H2,21,25)(H,23,26)
InChIKeyMAUSSMRTUHBRRH-UHFFFAOYSA-N
XLogP2.25
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-N'-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]cyclopropane-1,1-dicarboxamide (CID 24793846) is 1-N'-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]cyclopropane-1,1-dicarboxamide is Cc1cc(C)cc(-n2ncc3c2CCCC3NC(=O)C2(C(N)=O)CC2)c1.
What is the InChIKey of 1-N'-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]cyclopropane-1,1-dicarboxamide?
The InChIKey is MAUSSMRTUHBRRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-12-8-13(2)10-14(9-12)24-17-5-3-4-16(15(17)11-22-24)23-19(26)20(6-7-20)18(21)25/h8-11,16H,3-7H2,1-2H3,(H2,21,25)(H,23,26).
What are the key properties of 1-N'-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]cyclopropane-1,1-dicarboxamide?
1-N'-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]cyclopropane-1,1-dicarboxamide has a molecular weight of 352.44 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 24793846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).