(4R)-4-amino-1-(3-bromophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide

C14H15BrN4O — CID 125481313

IUPAC(4R)-4-amino-1-(3-bromophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESNC(=O)c1nn(-c2cccc(Br)c2)c2c1[C@H](N)CCC2
InChIInChI=1S/C14H15BrN4O/c15-8-3-1-4-9(7-8)19-11-6-2-5-10(16)12(11)13(18-19)14(17)20/h1,3-4,7,10H,2,5-6,16H2,(H2,17,20)/t10-/m1/s1
InChIKeyUORHYSJEYUPTDF-SNVBAGLBSA-N
MW335.21 g/mol
LogP2.07
Rot. Bonds2

About (4R)-4-amino-1-(3-bromophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide

(4R)-4-amino-1-(3-bromophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide (PubChem CID 125481313) has the molecular formula C14H15BrN4O and a molecular weight of 335.21 g/mol. Its IUPAC name is (4R)-4-amino-1-(3-bromophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide.

Molecular Properties

Compound Name(4R)-4-amino-1-(3-bromophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
PubChem CID125481313
Molecular FormulaC14H15BrN4O
Molecular Weight335.21 g/mol
Exact Mass334.04
IUPAC Name(4R)-4-amino-1-(3-bromophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESNC(=O)c1nn(-c2cccc(Br)c2)c2c1[C@H](N)CCC2
InChIInChI=1S/C14H15BrN4O/c15-8-3-1-4-9(7-8)19-11-6-2-5-10(16)12(11)13(18-19)14(17)20/h1,3-4,7,10H,2,5-6,16H2,(H2,17,20)/t10-/m1/s1
InChIKeyUORHYSJEYUPTDF-SNVBAGLBSA-N
XLogP2.07
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.21
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-amino-1-(3-bromophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide?
The IUPAC name of (4R)-4-amino-1-(3-bromophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide (CID 125481313) is (4R)-4-amino-1-(3-bromophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide.
What is the SMILES notation for (4R)-4-amino-1-(3-bromophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide?
The canonical SMILES for (4R)-4-amino-1-(3-bromophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide is NC(=O)c1nn(-c2cccc(Br)c2)c2c1[C@H](N)CCC2.
What is the InChIKey of (4R)-4-amino-1-(3-bromophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide?
The InChIKey is UORHYSJEYUPTDF-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H15BrN4O/c15-8-3-1-4-9(7-8)19-11-6-2-5-10(16)12(11)13(18-19)14(17)20/h1,3-4,7,10H,2,5-6,16H2,(H2,17,20)/t10-/m1/s1.
What are the key properties of (4R)-4-amino-1-(3-bromophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide?
(4R)-4-amino-1-(3-bromophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide has a molecular weight of 335.21 g/mol, XLogP of 2.07, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-amino-1-(3-bromophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide is sourced from PubChem (CID 125481313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).