3-(4-chlorophenyl)-5,5-dimethyl-1,4,6,7-tetrahydroindazole-7-carboxamide

C16H18ClN3O — CID 118738026

IUPAC3-(4-chlorophenyl)-5,5-dimethyl-1,4,6,7-tetrahydroindazole-7-carboxamide
SMILESCC1(C)Cc2c(-c3ccc(Cl)cc3)n[nH]c2C(C(N)=O)C1
InChIInChI=1S/C16H18ClN3O/c1-16(2)7-11-13(9-3-5-10(17)6-4-9)19-20-14(11)12(8-16)15(18)21/h3-6,12H,7-8H2,1-2H3,(H2,18,21)(H,19,20)
InChIKeyOKGNIDXKEISJOD-UHFFFAOYSA-N
MW303.79 g/mol
LogP3.27
Rot. Bonds2

About 3-(4-chlorophenyl)-5,5-dimethyl-1,4,6,7-tetrahydroindazole-7-carboxamide

3-(4-chlorophenyl)-5,5-dimethyl-1,4,6,7-tetrahydroindazole-7-carboxamide (PubChem CID 118738026) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5,5-dimethyl-1,4,6,7-tetrahydroindazole-7-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-5,5-dimethyl-1,4,6,7-tetrahydroindazole-7-carboxamide
PubChem CID118738026
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC Name3-(4-chlorophenyl)-5,5-dimethyl-1,4,6,7-tetrahydroindazole-7-carboxamide
SMILESCC1(C)Cc2c(-c3ccc(Cl)cc3)n[nH]c2C(C(N)=O)C1
InChIInChI=1S/C16H18ClN3O/c1-16(2)7-11-13(9-3-5-10(17)6-4-9)19-20-14(11)12(8-16)15(18)21/h3-6,12H,7-8H2,1-2H3,(H2,18,21)(H,19,20)
InChIKeyOKGNIDXKEISJOD-UHFFFAOYSA-N
XLogP3.27
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-chlorophenyl)methyl]-5-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 25163412
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-(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
ethyl 3-(4-chloro-3-fluorophenyl)-4,5,6,7-tetrahydro-1H-indazole-7-carboxylate
CID 118738007

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-5,5-dimethyl-1,4,6,7-tetrahydroindazole-7-carboxamide?
The IUPAC name of 3-(4-chlorophenyl)-5,5-dimethyl-1,4,6,7-tetrahydroindazole-7-carboxamide (CID 118738026) is 3-(4-chlorophenyl)-5,5-dimethyl-1,4,6,7-tetrahydroindazole-7-carboxamide.
What is the SMILES notation for 3-(4-chlorophenyl)-5,5-dimethyl-1,4,6,7-tetrahydroindazole-7-carboxamide?
The canonical SMILES for 3-(4-chlorophenyl)-5,5-dimethyl-1,4,6,7-tetrahydroindazole-7-carboxamide is CC1(C)Cc2c(-c3ccc(Cl)cc3)n[nH]c2C(C(N)=O)C1.
What is the InChIKey of 3-(4-chlorophenyl)-5,5-dimethyl-1,4,6,7-tetrahydroindazole-7-carboxamide?
The InChIKey is OKGNIDXKEISJOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c1-16(2)7-11-13(9-3-5-10(17)6-4-9)19-20-14(11)12(8-16)15(18)21/h3-6,12H,7-8H2,1-2H3,(H2,18,21)(H,19,20).
What are the key properties of 3-(4-chlorophenyl)-5,5-dimethyl-1,4,6,7-tetrahydroindazole-7-carboxamide?
3-(4-chlorophenyl)-5,5-dimethyl-1,4,6,7-tetrahydroindazole-7-carboxamide has a molecular weight of 303.79 g/mol, XLogP of 3.27, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-5,5-dimethyl-1,4,6,7-tetrahydroindazole-7-carboxamide is sourced from PubChem (CID 118738026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).