3-(4-chlorophenyl)-5-phenyl-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide

C20H18ClN3O — CID 118738031

IUPAC3-(4-chlorophenyl)-5-phenyl-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide
SMILESNC(=O)C1CC(c2ccccc2)Cc2c(-c3ccc(Cl)cc3)n[nH]c21
InChIInChI=1S/C20H18ClN3O/c21-15-8-6-13(7-9-15)18-16-10-14(12-4-2-1-3-5-12)11-17(20(22)25)19(16)24-23-18/h1-9,14,17H,10-11H2,(H2,22,25)(H,23,24)
InChIKeyOOSHFYSJCPAETC-UHFFFAOYSA-N
MW351.84 g/mol
LogP4.03
Rot. Bonds3

About 3-(4-chlorophenyl)-5-phenyl-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide

3-(4-chlorophenyl)-5-phenyl-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide (PubChem CID 118738031) has the molecular formula C20H18ClN3O and a molecular weight of 351.84 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5-phenyl-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-5-phenyl-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide
PubChem CID118738031
Molecular FormulaC20H18ClN3O
Molecular Weight351.84 g/mol
Exact Mass351.11
IUPAC Name3-(4-chlorophenyl)-5-phenyl-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide
SMILESNC(=O)C1CC(c2ccccc2)Cc2c(-c3ccc(Cl)cc3)n[nH]c21
InChIInChI=1S/C20H18ClN3O/c21-15-8-6-13(7-9-15)18-16-10-14(12-4-2-1-3-5-12)11-17(20(22)25)19(16)24-23-18/h1-9,14,17H,10-11H2,(H2,22,25)(H,23,24)
InChIKeyOOSHFYSJCPAETC-UHFFFAOYSA-N
XLogP4.03
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.84
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-chlorophenyl)-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide
CID 118738000
3-(4-Chlorophenyl)-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-8-carboxamide
CID 118738024
3-(4-Chlorophenyl)-5,5-dimethyl-1,4,6,7-tetrahydroindazole-7-carboxamide
CID 118738026
3-(3,4-dichlorophenyl)-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide
CID 118738004
3-(4-chloro-3-fluorophenyl)-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide
CID 118738006
3-(4-methylphenyl)-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide
CID 118738010
3-phenyl-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide
CID 118737999
3-(4-chlorophenyl)-N-methyl-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide
CID 118738001
3-(3-chlorophenyl)-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide
CID 118738002
3-(2-chlorophenyl)-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide
CID 118738003
3-(2,4-dichlorophenyl)-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide
CID 118738005
3-(4-fluorophenyl)-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide
CID 118738009

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-5-phenyl-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide?
The IUPAC name of 3-(4-chlorophenyl)-5-phenyl-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide (CID 118738031) is 3-(4-chlorophenyl)-5-phenyl-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide.
What is the SMILES notation for 3-(4-chlorophenyl)-5-phenyl-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide?
The canonical SMILES for 3-(4-chlorophenyl)-5-phenyl-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide is NC(=O)C1CC(c2ccccc2)Cc2c(-c3ccc(Cl)cc3)n[nH]c21.
What is the InChIKey of 3-(4-chlorophenyl)-5-phenyl-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide?
The InChIKey is OOSHFYSJCPAETC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O/c21-15-8-6-13(7-9-15)18-16-10-14(12-4-2-1-3-5-12)11-17(20(22)25)19(16)24-23-18/h1-9,14,17H,10-11H2,(H2,22,25)(H,23,24).
What are the key properties of 3-(4-chlorophenyl)-5-phenyl-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide?
3-(4-chlorophenyl)-5-phenyl-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide has a molecular weight of 351.84 g/mol, XLogP of 4.03, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-5-phenyl-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide is sourced from PubChem (CID 118738031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).