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

C22H28N4O2 — CID 24792082

IUPAC1-N'-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]cyclopropane-1,1-dicarboxamide
SMILESCC(C)(C)c1ccc(-n2ncc3c2CCCC3NC(=O)C2(C(N)=O)CC2)cc1
InChIInChI=1S/C22H28N4O2/c1-21(2,3)14-7-9-15(10-8-14)26-18-6-4-5-17(16(18)13-24-26)25-20(28)22(11-12-22)19(23)27/h7-10,13,17H,4-6,11-12H2,1-3H3,(H2,23,27)(H,25,28)
InChIKeyWZONZCIKEIFKDZ-UHFFFAOYSA-N
MW380.49 g/mol
LogP2.93
Rot. Bonds4

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

1-N'-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]cyclopropane-1,1-dicarboxamide (PubChem CID 24792082) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 1-N'-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]cyclopropane-1,1-dicarboxamide
PubChem CID24792082
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Name1-N'-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]cyclopropane-1,1-dicarboxamide
SMILESCC(C)(C)c1ccc(-n2ncc3c2CCCC3NC(=O)C2(C(N)=O)CC2)cc1
InChIInChI=1S/C22H28N4O2/c1-21(2,3)14-7-9-15(10-8-14)26-18-6-4-5-17(16(18)13-24-26)25-20(28)22(11-12-22)19(23)27/h7-10,13,17H,4-6,11-12H2,1-3H3,(H2,23,27)(H,25,28)
InChIKeyWZONZCIKEIFKDZ-UHFFFAOYSA-N
XLogP2.93
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 52.93
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-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]cyclopropane-1,1-dicarboxamide (CID 24792082) is 1-N'-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]cyclopropane-1,1-dicarboxamide is CC(C)(C)c1ccc(-n2ncc3c2CCCC3NC(=O)C2(C(N)=O)CC2)cc1.
What is the InChIKey of 1-N'-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]cyclopropane-1,1-dicarboxamide?
The InChIKey is WZONZCIKEIFKDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-21(2,3)14-7-9-15(10-8-14)26-18-6-4-5-17(16(18)13-24-26)25-20(28)22(11-12-22)19(23)27/h7-10,13,17H,4-6,11-12H2,1-3H3,(H2,23,27)(H,25,28).
What are the key properties of 1-N'-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]cyclopropane-1,1-dicarboxamide?
1-N'-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]cyclopropane-1,1-dicarboxamide has a molecular weight of 380.49 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 24792082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).