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

C14H14BrN3O — CID 118738008

IUPAC3-(4-bromophenyl)-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide
SMILESNC(=O)C1CCCc2c(-c3ccc(Br)cc3)n[nH]c21
InChIInChI=1S/C14H14BrN3O/c15-9-6-4-8(5-7-9)12-10-2-1-3-11(14(16)19)13(10)18-17-12/h4-7,11H,1-3H2,(H2,16,19)(H,17,18)
InChIKeyVMUFCTZXBNAMGM-UHFFFAOYSA-N
MW320.19 g/mol
LogP2.74
Rot. Bonds2

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

3-(4-bromophenyl)-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide (PubChem CID 118738008) has the molecular formula C14H14BrN3O and a molecular weight of 320.19 g/mol. Its IUPAC name is 3-(4-bromophenyl)-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide.

Molecular Properties

Compound Name3-(4-bromophenyl)-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide
PubChem CID118738008
Molecular FormulaC14H14BrN3O
Molecular Weight320.19 g/mol
Exact Mass319.03
IUPAC Name3-(4-bromophenyl)-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide
SMILESNC(=O)C1CCCc2c(-c3ccc(Br)cc3)n[nH]c21
InChIInChI=1S/C14H14BrN3O/c15-9-6-4-8(5-7-9)12-10-2-1-3-11(14(16)19)13(10)18-17-12/h4-7,11H,1-3H2,(H2,16,19)(H,17,18)
InChIKeyVMUFCTZXBNAMGM-UHFFFAOYSA-N
XLogP2.74
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 52.74
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
N'-(4-bromobenzylidene)-4,5,6,7-tetrahydro-1H-indazole-3-carbohydrazide
CID 6862977
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-(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-(4-fluorophenyl)-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide
CID 118738009
3-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide
CID 118738012
3-(4-Bromophenyl)-5,5-dimethyl-1,4,6,7-tetrahydroindazole-7-carboxamide
CID 118738028
3-(3-bromophenyl)-6,6-dimethyl-5,7-dihydro-1H-indazol-4-one
CID 24178157
3-(4-Bromophenyl)-1,5,6,7-tetrahydroindazol-4-one
CID 3541775
3-(4-bromophenyl)-6,6-dimethyl-5,7-dihydro-1H-indazol-4-one
CID 5207563

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide?
The IUPAC name of 3-(4-bromophenyl)-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide (CID 118738008) is 3-(4-bromophenyl)-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide.
What is the SMILES notation for 3-(4-bromophenyl)-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide?
The canonical SMILES for 3-(4-bromophenyl)-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide is NC(=O)C1CCCc2c(-c3ccc(Br)cc3)n[nH]c21.
What is the InChIKey of 3-(4-bromophenyl)-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide?
The InChIKey is VMUFCTZXBNAMGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O/c15-9-6-4-8(5-7-9)12-10-2-1-3-11(14(16)19)13(10)18-17-12/h4-7,11H,1-3H2,(H2,16,19)(H,17,18).
What are the key properties of 3-(4-bromophenyl)-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide?
3-(4-bromophenyl)-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide has a molecular weight of 320.19 g/mol, XLogP of 2.74, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide is sourced from PubChem (CID 118738008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).