2-[2-(4-chlorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]-2-cyclohexylacetamide

C21H26ClN3O — CID 141259798

IUPAC2-[2-(4-chlorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]-2-cyclohexylacetamide
SMILESNC(=O)C(c1c2c(nn1-c1ccc(Cl)cc1)CCCC2)C1CCCCC1
InChIInChI=1S/C21H26ClN3O/c22-15-10-12-16(13-11-15)25-20(17-8-4-5-9-18(17)24-25)19(21(23)26)14-6-2-1-3-7-14/h10-14,19H,1-9H2,(H2,23,26)
InChIKeyJJHSCZSAHSKSBE-UHFFFAOYSA-N
MW371.91 g/mol
LogP4.55
Rot. Bonds4

About 2-[2-(4-chlorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]-2-cyclohexylacetamide

2-[2-(4-chlorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]-2-cyclohexylacetamide (PubChem CID 141259798) has the molecular formula C21H26ClN3O and a molecular weight of 371.91 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]-2-cyclohexylacetamide.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]-2-cyclohexylacetamide
PubChem CID141259798
Molecular FormulaC21H26ClN3O
Molecular Weight371.91 g/mol
Exact Mass371.18
IUPAC Name2-[2-(4-chlorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]-2-cyclohexylacetamide
SMILESNC(=O)C(c1c2c(nn1-c1ccc(Cl)cc1)CCCC2)C1CCCCC1
InChIInChI=1S/C21H26ClN3O/c22-15-10-12-16(13-11-15)25-20(17-8-4-5-9-18(17)24-25)19(21(23)26)14-6-2-1-3-7-14/h10-14,19H,1-9H2,(H2,23,26)
InChIKeyJJHSCZSAHSKSBE-UHFFFAOYSA-N
XLogP4.55
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.91
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]-2-cyclohexylacetamide?
The IUPAC name of 2-[2-(4-chlorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]-2-cyclohexylacetamide (CID 141259798) is 2-[2-(4-chlorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]-2-cyclohexylacetamide.
What is the SMILES notation for 2-[2-(4-chlorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]-2-cyclohexylacetamide?
The canonical SMILES for 2-[2-(4-chlorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]-2-cyclohexylacetamide is NC(=O)C(c1c2c(nn1-c1ccc(Cl)cc1)CCCC2)C1CCCCC1.
What is the InChIKey of 2-[2-(4-chlorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]-2-cyclohexylacetamide?
The InChIKey is JJHSCZSAHSKSBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3O/c22-15-10-12-16(13-11-15)25-20(17-8-4-5-9-18(17)24-25)19(21(23)26)14-6-2-1-3-7-14/h10-14,19H,1-9H2,(H2,23,26).
What are the key properties of 2-[2-(4-chlorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]-2-cyclohexylacetamide?
2-[2-(4-chlorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]-2-cyclohexylacetamide has a molecular weight of 371.91 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]-2-cyclohexylacetamide is sourced from PubChem (CID 141259798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).